5-acetyloxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenyl-benzoic acid

Systemtic Name: 5-acetyloxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenyl-benzoic acid Openeye Name: 5-acetoxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenyl-benzoic acid CAS Name: 5-acetyloxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenylbenzoic acid IUPAC Name: 5-acetyloxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenylbenzoic acid Traditional Name: 5-acetoxy-3,4-dimethyl-2-phenoxysulfonyl-6-phenyl-benzoic acid Formula: C23H20O7S MolecularWeight: 440.4657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)S(=O)(=O)OC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)S(=O)(=O)OC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C23H20O7S/c1-14-15(2)22(31(27,28)30-18-12-8-5-9-13-18)20(23(25)26)19(21(14)29-16(3)24)17-10-6-4-7-11-17/h4-13H,1-3H3,(H,25,26)