4-methyl-2-(2-oxidanylidene-1,2-diphenyl-ethyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(2-oxidanylidene-1,2-diphenyl-ethyl)benzenesulfonic acid Openeye Name: 4-methyl-2-(2-oxo-1,2-diphenyl-ethyl)benzenesulfonic acid CAS Name: 4-methyl-2-(2-oxo-1,2-diphenylethyl)benzenesulfonic acid IUPAC Name: 4-methyl-2-(2-oxo-1,2-diphenylethyl)benzenesulfonic acid Traditional Name: 2-desyl-4-methyl-besylic acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O4S/c1-15-12-13-19(26(23,24)25)18(14-15)20(16-8-4-2-5-9-16)21(22)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,23,24,25)