2-dodecylbenzenesulfonate; (2-methyl-3,4-diphenyl-phenyl)sulfanium

Systemtic Name: 2-dodecylbenzenesulfonate; (2-methyl-3,4-diphenyl-phenyl)sulfanium Openeye Name: 2-dodecylbenzenesulfonate; (2-methyl-3,4-diphenyl-phenyl)sulfonium CAS Name: 2-dodecylbenzenesulfonate; (2-methyl-3,4-diphenylphenyl)sulfonium IUPAC Name: 2-dodecylbenzenesulfonate; (2-methyl-3,4-diphenylphenyl)sulfanium Traditional Name: 2-laurylbesylate; (2-methyl-3,4-diphenyl-phenyl)sulfonium Formula: C37H46O3S2 MolecularWeight: 602.88934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=C(C=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)[SH2+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CC1=C(C=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)[SH2+]

InChI

InChI=1S/C19H16S.C18H30O3S/c1-14-18(20)13-12-17(15-8-4-2-5-9-15)19(14)16-10-6-3-7-11-16;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h2-13,20H,1H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)