sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C115H100F9NNaO27S7-3 — CID 158864908

IUPACsodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESC=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\CC)cc2Oc2cc(CCC)ccc21.C=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\c3ccccc3)cc2Oc2cc(Cc3ccccc3)ccc21.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(S(=O)(=O)[O-])cc(C)c1/C=c1\ccc2c(c1)Oc1cc(Cc3c(C)cccc3C)ccc1C=2c1ccccc1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C40H32O5.C37H32O7S2.C32H32O5.C4H3F6O6S3.C2H3F3NO4S2.Na/c1-27(2)39(41)43-21-22-44-40(42)33-16-10-9-15-32(33)38-34-19-17-30(23-28-11-5-3-6-12-28)25-36(34)45-37-26-31(18-20-35(37)38)24-29-13-7-4-8-14-29;1-22-8-7-9-23(2)32(22)18-26-12-14-29-34(20-26)44-35-21-27(19-33-24(3)16-28(17-25(33)4)45(38,39)40)13-15-30(35)37(29)31-10-5-6-11-36(31)46(41,42)43;1-5-9-22-13-15-26-28(19-22)37-29-20-23(10-6-2)14-16-27(29)30(26)24-11-7-8-12-25(24)32(34)36-18-17-35-31(33)21(3)4;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;1-11(7,8)6-12(9,10)2(3,4)5;/h3-20,23,25-26H,1,21-22,24H2,2H3;5-17,19-21H,18H2,1-4H3,(H,38,39,40)(H,41,42,43);7-9,11-16,19-20H,3,5-6,10,17-18H2,1-2,4H3;1H3;1H3;/q;;;2*-1;+1/p-2/b30-23+;27-19+;22-9+;;;
InChIKeyJBCJWCXCJGOUOM-HKYHRJEXSA-L
MW2346.49 g/mol
LogP15.22
Rot. Bonds29

About sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 158864908) has the molecular formula C115H100F9NNaO27S7-3 and a molecular weight of 2346.49 g/mol. Its IUPAC name is sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

Compound Namesodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
PubChem CID158864908
Molecular FormulaC115H100F9NNaO27S7-3
Molecular Weight2346.49 g/mol
Exact Mass2344.43
IUPAC Namesodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
SMILESC=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\CC)cc2Oc2cc(CCC)ccc21.C=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\c3ccccc3)cc2Oc2cc(Cc3ccccc3)ccc21.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(S(=O)(=O)[O-])cc(C)c1/C=c1\ccc2c(c1)Oc1cc(Cc3c(C)cccc3C)ccc1C=2c1ccccc1S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C40H32O5.C37H32O7S2.C32H32O5.C4H3F6O6S3.C2H3F3NO4S2.Na/c1-27(2)39(41)43-21-22-44-40(42)33-16-10-9-15-32(33)38-34-19-17-30(23-28-11-5-3-6-12-28)25-36(34)45-37-26-31(18-20-35(37)38)24-29-13-7-4-8-14-29;1-22-8-7-9-23(2)32(22)18-26-12-14-29-34(20-26)44-35-21-27(19-33-24(3)16-28(17-25(33)4)45(38,39)40)13-15-30(35)37(29)31-10-5-6-11-36(31)46(41,42)43;1-5-9-22-13-15-26-28(19-22)37-29-20-23(10-6-2)14-16-27(29)30(26)24-11-7-8-12-25(24)32(34)36-18-17-35-31(33)21(3)4;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;1-11(7,8)6-12(9,10)2(3,4)5;/h3-20,23,25-26H,1,21-22,24H2,2H3;5-17,19-21H,18H2,1-4H3,(H,38,39,40)(H,41,42,43);7-9,11-16,19-20H,3,5-6,10,17-18H2,1-2,4H3;1H3;1H3;/q;;;2*-1;+1/p-2/b30-23+;27-19+;22-9+;;;
InChIKeyJBCJWCXCJGOUOM-HKYHRJEXSA-L
XLogP15.22
TPSA432.09 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.49
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane with MolForge

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Related Compounds

2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;4-tert-butylbenzoate;(4-tert-butylphenyl)-diphenylsulfanium;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium);bis(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 157550170
1,1'-Biphenyl;bis(3,4-dimethylphenyl)methanone;1,4-ditert-butyl-2,5-bis(3,4-dimethylphenoxy)benzene;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl 3,4-dimethylbenzoate;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;ethane;naphthalene;1,2,4,5-tetramethylbenzene
CID 157684484
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;[difluoro-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate);2,3,5,6-tetrafluoro-4-[2,4,6-tri(propan-2-yl)phenoxy]benzenesulfonate;bis(2,4,6-tricyclohexylbenzenesulfonate);tris(triphenylsulfanium);2,4,6-tri(propan-2-yl)benzenesulfonate;tris(tris(4-fluorophenyl)sulfanium);tris(3-methoxyphenyl)sulfanium
CID 157897705
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;bis(2,4,6-tricyclohexylbenzenesulfonate);triphenylsulfanium
CID 157983872
tert-butyl 4-[2-[(4S)-7-(2,3,4,5,6-pentafluorophenoxy)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)phenyl]benzoate;tert-butyl 4-[2-[(4R)-7-(2,3,4,5,6-pentafluorophenoxy)sulfonyl-3,4-dihydro-2H-chromen-4-yl]-5-(trifluoromethyl)phenyl]benzoate
CID 158783842
Bis(3,4-dimethylphenyl)methanone;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-[2-[4-(3,4-dimethylphenoxy)phenyl]propan-2-yl]phenoxy]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfanyl-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;1,4,5,8-tetramethylnaphthalene
CID 158917610
4-(Benzenesulfonyl)-1,2-dimethylbenzene;1,4-ditert-butyl-2-(3,4-dimethylphenoxy)-5-phenoxybenzene;2,3-dimethylnaphthalene;1,2-dimethyl-4-phenoxybenzene;2-[(3,4-dimethylphenoxy)methoxy]ethyl benzoate;1,2-dimethyl-4-(4-phenoxyphenoxy)benzene;1,2-dimethyl-4-[4-[2-(4-phenoxyphenyl)propan-2-yl]phenoxy]benzene;1,2-dimethyl-4-phenylbenzene;(3,4-dimethylphenyl)-phenylmethanone;1,2-dimethyl-4-(2-phenylpropan-2-yl)benzene;1,2-dimethyl-4-phenylsulfanylbenzene;ethane;4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-1,2-dimethylbenzene;1,2-xylene
CID 159231719
Methane;bis(5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid);2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-4-propan-2-yl-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
CID 159904161
[6-Methoxy-2-oxo-4-(trifluoromethyl)chromen-7-yl] methanesulfonate;methyl 2-(6,7-dimethyl-2-oxochromen-4-yl)oxysulfonylbenzoate;(2-oxochromen-4-yl) 3,5-bis(trifluoromethyl)benzenesulfonate;(2-oxochromen-4-yl) 4-methoxybenzenesulfonate;(2-oxochromen-4-yl) 4-methylbenzenesulfonate;(2-oxochromen-4-yl) 2,3,4,5,6-pentafluorobenzenesulfonate;(2-oxochromen-4-yl) 2,4,6-tri(propan-2-yl)benzenesulfonate
CID 160027480
2-Methyl-4-[2-oxo-2-[3-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzenesulfonamide
CID 160263520
(1,1-Difluoro-1-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-1-carboxylate;(4-methoxysulfonylphenyl) 2-methylprop-2-enoate;methyl 2-ethenylbenzenesulfonate;methyl 3-ethenylbenzenesulfonate;methyl 4-ethenylbenzenesulfonate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-2-carboxylate
CID 160342461
2-(Naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-4-propan-2-yl-5-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-[(4-phenoxyphenyl)sulfonylmethyl]-4-propan-2-yl-5-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoic acid
CID 160848862

Frequently Asked Questions

What is the IUPAC name of sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The IUPAC name of sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 158864908) is sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.
What is the SMILES notation for sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The canonical SMILES for sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is C=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\CC)cc2Oc2cc(CCC)ccc21.C=C(C)C(=O)OCCOC(=O)c1ccccc1C1=c2cc/c(=C\c3ccccc3)cc2Oc2cc(Cc3ccccc3)ccc21.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1cc(S(=O)(=O)[O-])cc(C)c1/C=c1\ccc2c(c1)Oc1cc(Cc3c(C)cccc3C)ccc1C=2c1ccccc1S(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
The InChIKey is JBCJWCXCJGOUOM-HKYHRJEXSA-L. The full InChI is InChI=1S/C40H32O5.C37H32O7S2.C32H32O5.C4H3F6O6S3.C2H3F3NO4S2.Na/c1-27(2)39(41)43-21-22-44-40(42)33-16-10-9-15-32(33)38-34-19-17-30(23-28-11-5-3-6-12-28)25-36(34)45-37-26-31(18-20-35(37)38)24-29-13-7-4-8-14-29;1-22-8-7-9-23(2)32(22)18-26-12-14-29-34(20-26)44-35-21-27(19-33-24(3)16-28(17-25(33)4)45(38,39)40)13-15-30(35)37(29)31-10-5-6-11-36(31)46(41,42)43;1-5-9-22-13-15-26-28(19-22)37-29-20-23(10-6-2)14-16-27(29)30(26)24-11-7-8-12-25(24)32(34)36-18-17-35-31(33)21(3)4;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10;1-11(7,8)6-12(9,10)2(3,4)5;/h3-20,23,25-26H,1,21-22,24H2,2H3;5-17,19-21H,18H2,1-4H3,(H,38,39,40)(H,41,42,43);7-9,11-16,19-20H,3,5-6,10,17-18H2,1-2,4H3;1H3;1H3;/q;;;2*-1;+1/p-2/b30-23+;27-19+;22-9+;;;.
What are the key properties of sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?
sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 2346.49 g/mol, XLogP of 15.22, 29 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 158864908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).