Chem
J-GLOBAL ID：201807013066643080
Nikkaji number：J3.721.122B
3,3′-[(2,2′′,3,3′′,4,4′′,5,5′′,6,6′′-Decamethyl-1,1′:3′,1′′-terbenzene-4′,6′-diyl)bisoxy]bis(propane-1-sulfonic acid)
3,3′-[(2,2′′,3,3′′,4,4′′,5,5′′,6,6′′-デカメチル-1,1′:3′,1′′-テルベンゼン-4′,6′-ジイル)ビスオキシ]ビス(プロパン-1-スルホン酸)
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C34H46O8S2
Molecular formula furigana： C34-H46-O8-S2
Molecular weight： 646.850
InChI：
InChI=1S/C34H46O8S2/c1-19-21(3)25(7)33(26(8)22(19)4)29-17-30(34-27(9)23(5)20(2)24(6)28(34)10)32(42-14-12-16-44(38,39)40)18-31(29)41-13-11-15-43(35,36)37/h17-18H,11-16H2,1-10H3,(H,35,36,37)(H,38,39,40)
InChI key：
VBFMNGNBBRYSIH-UHFFFAOYSA-N
SMILES：
Cc1c(C)c(C)c(c(C)c1C)c1cc(c(OCCCS(=O)(=O)O)cc1OCCCS(=O)(=O)O)c1c(C)c(C)c(C)c(C)c1C
Systematic name (3)：
- 3,3′-[(2,2′′,3,3′′,4,4′′,5,5′′,6,6′′-デカメチル-1,1′:3′,1′′-テルベンゼン-4′,6′-ジイル)ビスオキシ]ビス(プロパン-1-スルホン酸)
- 3-{[2',3',4',5',6'-ペンタメチル-5-(2,3,4,5,6-ペンタメチルフェニル)-4-(3-スルホプロポキシ)-[1,1'-ビフェニル]-2-イル]オキシ}プロパン-1-スルホン酸
- 3-{[2',3',4',5',6'-pentamethyl-5-(2,3,4,5,6-pentamethylphenyl)-4-(3-sulfopropoxy)-[1,1'-biphenyl]-2-yl]oxy}propane-1-sulfonic acid
- 3,3′-[(2,2′′,3,3′′,4,4′′,5,5′′,6,6′′-Decamethyl-1,1′:3′,1′′-terbenzene-4′,6′-diyl)bisoxy]bis(propane-1-sulfonic acid)
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