2-dodecylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium

Systemtic Name: 2-dodecylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium Openeye Name: 2-dodecylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfonium CAS Name: 2-dodecylbenzenesulfonate; (1-phenyl-2-biphenylenyl)sulfonium IUPAC Name: 2-dodecylbenzenesulfonate; (1-phenylbiphenylen-2-yl)sulfanium Traditional Name: 2-laurylbesylate; (1-phenylbiphenylen-2-yl)sulfonium Formula: C36H42O3S2 MolecularWeight: 586.84688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(C=CC3=C2C4=CC=CC=C34)[SH2+]

InChI

InChI=1S/C18H30O3S.C18H12S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;19-16-11-10-15-13-8-4-5-9-14(13)18(15)17(16)12-6-2-1-3-7-12/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-11,19H