3-(2-methylphenyl)-4-oxidanylidene-4-(3-phenylmethoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 3-(2-methylphenyl)-4-oxidanylidene-4-(3-phenylmethoxyphenyl)butane-1-sulfonic acid Openeye Name: 4-(3-benzyloxyphenyl)-3-(o-tolyl)-4-oxo-butane-1-sulfonic acid CAS Name: 3-(2-methylphenyl)-4-oxo-4-(3-phenylmethoxyphenyl)-1-butanesulfonic acid IUPAC Name: 3-(2-methylphenyl)-4-oxo-4-(3-phenylmethoxyphenyl)butane-1-sulfonic acid Traditional Name: 4-(3-benzoxyphenyl)-4-keto-3-(o-tolyl)butane-1-sulfonic acid Formula: C24H24O5S MolecularWeight: 424.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCS(=O)(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCS(=O)(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H24O5S/c1-18-8-5-6-13-22(18)23(14-15-30(26,27)28)24(25)20-11-7-12-21(16-20)29-17-19-9-3-2-4-10-19/h2-13,16,23H,14-15,17H2,1H3,(H,26,27,28)