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

Systemtic Name: 4-ethylbenzenesulfonate; (2-methyl-3,4-diphenyl-phenyl)sulfanium Openeye Name: 4-ethylbenzenesulfonate; (2-methyl-3,4-diphenyl-phenyl)sulfonium CAS Name: 4-ethylbenzenesulfonate; (2-methyl-3,4-diphenylphenyl)sulfonium IUPAC Name: 4-ethylbenzenesulfonate; (2-methyl-3,4-diphenylphenyl)sulfanium Traditional Name: 4-ethylbesylate; (2-methyl-3,4-diphenyl-phenyl)sulfonium Formula: C27H26O3S2 MolecularWeight: 462.62354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)[SH2+]

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C=CC(=C1C2=CC=CC=C2)C3=CC=CC=C3)[SH2+]

InChI

InChI=1S/C19H16S.C8H10O3S/c1-14-18(20)13-12-17(15-8-4-2-5-9-15)19(14)16-10-6-3-7-11-16;1-2-7-3-5-8(6-4-7)12(9,10)11/h2-13,20H,1H3;3-6H,2H2,1H3,(H,9,10,11)