8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid

C200H156O52S14 — CID 158424297

IUPAC8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid
SMILESCc1cccc2c(Cc3cccc4c(C(=O)O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(OS(=O)(=O)O)ccc(C)c34)cccc12.O=C(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(C(=O)O)c34)cccc12.O=S(=O)(O)Oc1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(OS(=O)(=O)O)c34)cccc12.O=S(=O)(O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(Cc6cccc7cccc(S(=O)(=O)O)c67)c6cccc(S(=O)(=O)O)c56)c5cccc(S(=O)(=O)O)c45)c4cccc(S(=O)(=O)O)c34)c3cccc(S(=O)(=O)O)c23)c2ccccc12.O=S(=O)(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(S(=O)(=O)O)c34)cccc12
InChIInChI=1S/C65H48O18S6.C24H20O2.C23H16O7S.C23H20O4S.C23H20O.C21H16O11S3.C21H16O9S3/c66-84(67,68)55-32-31-39(49-12-1-2-13-54(49)55)33-45-27-24-41(51-15-6-19-57(62(45)51)86(72,73)74)35-47-29-26-43(53-17-8-21-59(64(47)53)88(78,79)80)37-48-30-25-42(52-16-7-22-60(65(48)52)89(81,82)83)36-46-28-23-40(50-14-5-20-58(63(46)50)87(75,76)77)34-44-11-3-9-38-10-4-18-56(61(38)44)85(69,70)71;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24(25)26)13-12-16(2)23(18)21;24-22(25)17-8-3-6-15-13(4-1-7-16(15)17)12-14-5-2-9-18-20(31(28,29)30)11-10-19(21(14)18)23(26)27;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(27-28(24,25)26)13-12-16(2)23(18)21;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24)13-12-16(2)23(18)21;22-33(23,24)20-11-10-19(32-35(28,29)30)21-14(5-2-8-17(20)21)12-13-4-1-7-16-15(13)6-3-9-18(16)31-34(25,26)27;22-31(23,24)18-9-3-6-15-13(4-1-7-16(15)18)12-14-5-2-8-17-19(32(25,26)27)10-11-20(21(14)17)33(28,29)30/h1-32H,33-37H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);3-13H,14H2,1-2H3,(H,25,26);1-11H,12H2,(H,24,25)(H,26,27)(H,28,29,30);3-13H,14H2,1-2H3,(H,24,25,26);3-13,24H,14H2,1-2H3;1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30);1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)
InChIKeyHAWACVZWTNIYHN-UHFFFAOYSA-N
MW3840.33 g/mol
LogP39.97
Rot. Bonds42

About 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid

8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid (PubChem CID 158424297) has the molecular formula C200H156O52S14 and a molecular weight of 3840.33 g/mol. Its IUPAC name is 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid
PubChem CID158424297
Molecular FormulaC200H156O52S14
Molecular Weight3840.33 g/mol
Exact Mass3836.57
IUPAC Name8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid
SMILESCc1cccc2c(Cc3cccc4c(C(=O)O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(OS(=O)(=O)O)ccc(C)c34)cccc12.O=C(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(C(=O)O)c34)cccc12.O=S(=O)(O)Oc1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(OS(=O)(=O)O)c34)cccc12.O=S(=O)(O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(Cc6cccc7cccc(S(=O)(=O)O)c67)c6cccc(S(=O)(=O)O)c56)c5cccc(S(=O)(=O)O)c45)c4cccc(S(=O)(=O)O)c34)c3cccc(S(=O)(=O)O)c23)c2ccccc12.O=S(=O)(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(S(=O)(=O)O)c34)cccc12
InChIInChI=1S/C65H48O18S6.C24H20O2.C23H16O7S.C23H20O4S.C23H20O.C21H16O11S3.C21H16O9S3/c66-84(67,68)55-32-31-39(49-12-1-2-13-54(49)55)33-45-27-24-41(51-15-6-19-57(62(45)51)86(72,73)74)35-47-29-26-43(53-17-8-21-59(64(47)53)88(78,79)80)37-48-30-25-42(52-16-7-22-60(65(48)52)89(81,82)83)36-46-28-23-40(50-14-5-20-58(63(46)50)87(75,76)77)34-44-11-3-9-38-10-4-18-56(61(38)44)85(69,70)71;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24(25)26)13-12-16(2)23(18)21;24-22(25)17-8-3-6-15-13(4-1-7-16(15)17)12-14-5-2-9-18-20(31(28,29)30)11-10-19(21(14)18)23(26)27;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(27-28(24,25)26)13-12-16(2)23(18)21;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24)13-12-16(2)23(18)21;22-33(23,24)20-11-10-19(32-35(28,29)30)21-14(5-2-8-17(20)21)12-13-4-1-7-16-15(13)6-3-9-18(16)31-34(25,26)27;22-31(23,24)18-9-3-6-15-13(4-1-7-16(15)18)12-14-5-2-8-17-19(32(25,26)27)10-11-20(21(14)17)33(28,29)30/h1-32H,33-37H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);3-13H,14H2,1-2H3,(H,25,26);1-11H,12H2,(H,24,25)(H,26,27)(H,28,29,30);3-13H,14H2,1-2H3,(H,24,25,26);3-13,24H,14H2,1-2H3;1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30);1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)
InChIKeyHAWACVZWTNIYHN-UHFFFAOYSA-N
XLogP39.97
TPSA921.00 Ų
H-Bond Donors18
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003840.33
LogP ≤ 539.97
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid with MolForge

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Related Compounds

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3-[5-[1,1,1,3,3,3-Hexafluoro-2-[4-hydroxy-3-[7-sulfo-4-(trioxidanylsulfanyl)naphthalene-2-carbonyl]phenyl]propan-2-yl]-2-hydroxybenzoyl]-6-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
CID 58711263
3-[5-[2-[3-(4,7-Disulfonaphthalene-2-carbonyl)-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxybenzoyl]naphthalene-1,6-disulfonic acid
CID 89107596
5,7-Bis(fluorosulfonyl)naphthalene-2-carboxylic acid;6-hydroxynaphthalene-1,3-disulfonyl fluoride;4-methylsulfonylbenzoic acid;bis(6-methylsulfonylnaphthalene-2-carboxylic acid);4-methylsulfonylphenol;3-methylsulfonyl-5-(trifluoromethylsulfonyl)benzoic acid;3-methylsulfonyl-5-(trifluoromethylsulfonyl)phenol
CID 157458787
4-Butan-2-ylbenzenesulfonamide;4-butan-2-ylbenzenesulfonic acid;2-butan-2-ylbenzoic acid;4-butan-2-yl-2,6-dimethylbenzoic acid;2-butan-2-ylphenol;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 165093401
Pnwguaikqhordy-uhfffaoysa-
CID 12714695
Kkcfmtraigeinq-uhfffaoysa-
CID 12714697
4-(8-Hydroxy-6-sulfonaphthalen-2-yl)benzoic acid
CID 17865736
4-Naphthalen-2-yloxysulfonylnaphthalene-1,8-dicarboxylic acid
CID 21434621
4-Naphthalen-1-yloxysulfonylnaphthalene-1,8-dicarboxylic acid
CID 21434635
4-[(6-oxo-1,9-disulfo-5aH-pyren-4-yl)sulfonyloxy]pyrene-1,2,3-trisulfonic acid
CID 23064751

Frequently Asked Questions

What is the IUPAC name of 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid?
The IUPAC name of 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid (CID 158424297) is 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid.
What is the SMILES notation for 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid?
The canonical SMILES for 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid is Cc1cccc2c(Cc3cccc4c(C(=O)O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(O)ccc(C)c34)cccc12.Cc1cccc2c(Cc3cccc4c(OS(=O)(=O)O)ccc(C)c34)cccc12.O=C(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(C(=O)O)c34)cccc12.O=S(=O)(O)Oc1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(OS(=O)(=O)O)c34)cccc12.O=S(=O)(O)c1ccc(Cc2ccc(Cc3ccc(Cc4ccc(Cc5ccc(Cc6cccc7cccc(S(=O)(=O)O)c67)c6cccc(S(=O)(=O)O)c56)c5cccc(S(=O)(=O)O)c45)c4cccc(S(=O)(=O)O)c34)c3cccc(S(=O)(=O)O)c23)c2ccccc12.O=S(=O)(O)c1cccc2c(Cc3cccc4c(S(=O)(=O)O)ccc(S(=O)(=O)O)c34)cccc12.
What is the InChIKey of 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid?
The InChIKey is HAWACVZWTNIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48O18S6.C24H20O2.C23H16O7S.C23H20O4S.C23H20O.C21H16O11S3.C21H16O9S3/c66-84(67,68)55-32-31-39(49-12-1-2-13-54(49)55)33-45-27-24-41(51-15-6-19-57(62(45)51)86(72,73)74)35-47-29-26-43(53-17-8-21-59(64(47)53)88(78,79)80)37-48-30-25-42(52-16-7-22-60(65(48)52)89(81,82)83)36-46-28-23-40(50-14-5-20-58(63(46)50)87(75,76)77)34-44-11-3-9-38-10-4-18-56(61(38)44)85(69,70)71;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24(25)26)13-12-16(2)23(18)21;24-22(25)17-8-3-6-15-13(4-1-7-16(15)17)12-14-5-2-9-18-20(31(28,29)30)11-10-19(21(14)18)23(26)27;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(27-28(24,25)26)13-12-16(2)23(18)21;1-15-6-3-10-20-17(7-4-9-19(15)20)14-18-8-5-11-21-22(24)13-12-16(2)23(18)21;22-33(23,24)20-11-10-19(32-35(28,29)30)21-14(5-2-8-17(20)21)12-13-4-1-7-16-15(13)6-3-9-18(16)31-34(25,26)27;22-31(23,24)18-9-3-6-15-13(4-1-7-16(15)18)12-14-5-2-8-17-19(32(25,26)27)10-11-20(21(14)17)33(28,29)30/h1-32H,33-37H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83);3-13H,14H2,1-2H3,(H,25,26);1-11H,12H2,(H,24,25)(H,26,27)(H,28,29,30);3-13H,14H2,1-2H3,(H,24,25,26);3-13,24H,14H2,1-2H3;1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30);1-11H,12H2,(H,22,23,24)(H,25,26,27)(H,28,29,30).
What are the key properties of 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid?
8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid has a molecular weight of 3840.33 g/mol, XLogP of 39.97, 42 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-carboxynaphthalen-1-yl)methyl]-4-sulfonaphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalene-1-carboxylic acid;4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-ol;[4-methyl-5-[(5-methylnaphthalen-1-yl)methyl]naphthalen-1-yl] hydrogen sulfate;5-[(5-sulfonaphthalen-1-yl)methyl]naphthalene-1,4-disulfonic acid;4-sulfooxy-5-[(5-sulfooxynaphthalen-1-yl)methyl]naphthalene-1-sulfonic acid;8-[[5-sulfo-4-[(4-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-5-[[8-sulfo-4-[[8-sulfo-4-[(8-sulfonaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]naphthalen-1-yl]methyl]naphthalene-1-sulfonic acid is sourced from PubChem (CID 158424297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).