4-methyl-2,6-diphenyl-3-(4-phenylsulfanylphenyl)benzenesulfonate

Systemtic Name: 4-methyl-2,6-diphenyl-3-(4-phenylsulfanylphenyl)benzenesulfonate Openeye Name: 4-methyl-2,6-diphenyl-3-(4-phenylsulfanylphenyl)benzenesulfonate CAS Name: 4-methyl-2,6-diphenyl-3-[4-(phenylthio)phenyl]benzenesulfonate IUPAC Name: 4-methyl-2,6-diphenyl-3-(4-phenylsulfanylphenyl)benzenesulfonate Traditional Name: 4-methyl-2,6-diphenyl-3-[4-(phenylthio)phenyl]besylate Formula: C31H23O3S2- MolecularWeight: 507.64252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CC=CC=C2)S(=O)(=O)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C31H24O3S2/c1-22-21-28(23-11-5-2-6-12-23)31(36(32,33)34)30(24-13-7-3-8-14-24)29(22)25-17-19-27(20-18-25)35-26-15-9-4-10-16-26/h2-21H,1H3,(H,32,33,34)/p-1