sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)

C181H158N29NaO73S18 — CID 159048826

IUPACsodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1.COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)ccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)ccc(N)c2c1O.Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+]
InChIInChI=1S/C34H28N6O12S3.C34H28N6O11S3.2C34H28N6O8S2.C31H32N2O13S.C14H15N3O3S.Na.6O3S/c1-16-13-17(3-8-22(16)37-39-24-10-5-19-27(53(43,44)45)12-7-21(35)30(19)33(24)41)18-4-9-23(26(14-18)52-2)38-40-25-11-6-20-28(54(46,47)48)15-29(55(49,50)51)32(36)31(20)34(25)42;1-16-13-18(3-8-23(16)37-39-25-10-5-20-27(52(43,44)45)12-7-22(35)30(20)33(25)41)19-4-9-24(17(2)14-19)38-40-26-11-6-21-28(53(46,47)48)15-29(54(49,50)51)32(36)31(21)34(26)42;2*1-17-12-19(6-9-26(17)37-39-28-11-8-22-14-23(49(43,44)45)16-25(36)31(22)33(28)41)20-7-10-27(18(2)13-20)38-40-32-29(50(46,47)48)15-21-4-3-5-24(35)30(21)34(32)42;1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;6*1-4(2)3/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);2*3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48);3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);3-10H,1-2H3,(H,18,19,20);;;;;;;/q;;;;;;+1;;;;;;/p-1/b4*39-37+,40-38+;;16-15+;;;;;;;
InChIKeyOPVRBRAZWPKDID-LIBKATGJSA-M
MW4507.58 g/mol
LogP26.62
Rot. Bonds49

About sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)

sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) (PubChem CID 159048826) has the molecular formula C181H158N29NaO73S18 and a molecular weight of 4507.58 g/mol. Its IUPAC name is sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide).

Molecular Properties

Compound Namesodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)
PubChem CID159048826
Molecular FormulaC181H158N29NaO73S18
Molecular Weight4507.58 g/mol
Exact Mass4503.44
IUPAC Namesodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1.COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)ccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)ccc(N)c2c1O.Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+]
InChIInChI=1S/C34H28N6O12S3.C34H28N6O11S3.2C34H28N6O8S2.C31H32N2O13S.C14H15N3O3S.Na.6O3S/c1-16-13-17(3-8-22(16)37-39-24-10-5-19-27(53(43,44)45)12-7-21(35)30(19)33(24)41)18-4-9-23(26(14-18)52-2)38-40-25-11-6-20-28(54(46,47)48)15-29(55(49,50)51)32(36)31(20)34(25)42;1-16-13-18(3-8-23(16)37-39-25-10-5-20-27(52(43,44)45)12-7-22(35)30(20)33(25)41)19-4-9-24(17(2)14-19)38-40-26-11-6-21-28(53(46,47)48)15-29(54(49,50)51)32(36)31(21)34(26)42;2*1-17-12-19(6-9-26(17)37-39-28-11-8-22-14-23(49(43,44)45)16-25(36)31(22)33(28)41)20-7-10-27(18(2)13-20)38-40-32-29(50(46,47)48)15-21-4-3-5-24(35)30(21)34(32)42;1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;6*1-4(2)3/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);2*3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48);3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);3-10H,1-2H3,(H,18,19,20);;;;;;;/q;;;;;;+1;;;;;;/p-1/b4*39-37+,40-38+;;16-15+;;;;;;;
InChIKeyOPVRBRAZWPKDID-LIBKATGJSA-M
XLogP26.62
TPSA1752.62 Ų
H-Bond Donors32
H-Bond Acceptors88
Rotatable Bonds49
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004507.58
LogP ≤ 526.62
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1088

Analyze sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) with MolForge

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Launch Full Analysis

Related Compounds

4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
CID 159048827
CID 137221822
CID 137221822
sodium 5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135421783
5-amino-3-[[4-[[5-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-4-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 170845452
Trypan Blue, Vetec(TM) reagent grade
CID 135442966
CID 170845335
CID 170845335
3-[[4-[4-[(7-amino-2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 136814830
CID 170844336
CID 170844336
4-amino-6-[[4-[(1,8-dihydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
CID 3770913
3-[[4-[[6-[[1-amino-8-hydroxy-7-[(2-methoxy-4-nitrophenyl)diazenyl]-4-sulfonaphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]phenyl]diazenyl]-4-formyloxybenzoic acid;tris(sulfur trioxide)
CID 159328564
disodium;5-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-2-hydroxybenzoate;hydron
CID 164511920
6-amino-4-hydroxy-3-[[4-[[2-methoxy-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2,7-disulfonic acid
CID 136646691

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)?
The IUPAC name of sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) (CID 159048826) is sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide).
What is the SMILES notation for sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)?
The canonical SMILES for sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)cc1.COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)ccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cccc(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(N)c2c1O.Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)ccc(N)c2c1O.Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.[Na+].
What is the InChIKey of sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)?
The InChIKey is OPVRBRAZWPKDID-LIBKATGJSA-M. The full InChI is InChI=1S/C34H28N6O12S3.C34H28N6O11S3.2C34H28N6O8S2.C31H32N2O13S.C14H15N3O3S.Na.6O3S/c1-16-13-17(3-8-22(16)37-39-24-10-5-19-27(53(43,44)45)12-7-21(35)30(19)33(24)41)18-4-9-23(26(14-18)52-2)38-40-25-11-6-20-28(54(46,47)48)15-29(55(49,50)51)32(36)31(20)34(25)42;1-16-13-18(3-8-23(16)37-39-25-10-5-20-27(52(43,44)45)12-7-22(35)30(20)33(25)41)19-4-9-24(17(2)14-19)38-40-26-11-6-21-28(53(46,47)48)15-29(54(49,50)51)32(36)31(21)34(26)42;2*1-17-12-19(6-9-26(17)37-39-28-11-8-22-14-23(49(43,44)45)16-25(36)31(22)33(28)41)20-7-10-27(18(2)13-20)38-40-32-29(50(46,47)48)15-21-4-3-5-24(35)30(21)34(32)42;1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;6*1-4(2)3/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);2*3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48);3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);3-10H,1-2H3,(H,18,19,20);;;;;;;/q;;;;;;+1;;;;;;/p-1/b4*39-37+,40-38+;;16-15+;;;;;;;.
What are the key properties of sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)?
sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) has a molecular weight of 4507.58 g/mol, XLogP of 26.62, 49 rotatable bonds, 32 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide) is sourced from PubChem (CID 159048826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).