2-[2,3,5,6-tetramethyl-4-oxidanylidene-3-(2,3,4-trimethoxyphenyl)cyclohexa-1,5-dien-1-yl]sulfanylbenzoic acid

Systemtic Name: 2-[2,3,5,6-tetramethyl-4-oxidanylidene-3-(2,3,4-trimethoxyphenyl)cyclohexa-1,5-dien-1-yl]sulfanylbenzoic acid Openeye Name: 2-[2,3,5,6-tetramethyl-4-oxo-3-(2,3,4-trimethoxyphenyl)cyclohexa-1,5-dien-1-yl]sulfanylbenzoic acid CAS Name: 2-[[2,3,5,6-tetramethyl-4-oxo-3-(2,3,4-trimethoxyphenyl)-1-cyclohexa-1,5-dienyl]thio]benzoic acid IUPAC Name: 2-[2,3,5,6-tetramethyl-4-oxo-3-(2,3,4-trimethoxyphenyl)cyclohexa-1,5-dien-1-yl]sulfanylbenzoic acid Traditional Name: 2-[[4-keto-2,3,5,6-tetramethyl-3-(2,3,4-trimethoxyphenyl)cyclohexa-1,5-dien-1-yl]thio]benzoic acid Formula: C26H28O6S MolecularWeight: 468.56192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(=C1SC2=CC=CC=C2C(=O)O)C)(C)C3=C(C(=C(C=C3)OC)OC)OC)C

Isomeric SMILES

CC1=C(C(=O)C(C(=C1SC2=CC=CC=C2C(=O)O)C)(C)C3=C(C(=C(C=C3)OC)OC)OC)C

InChI

InChI=1S/C26H28O6S/c1-14-15(2)24(27)26(4,18-12-13-19(30-5)22(32-7)21(18)31-6)16(3)23(14)33-20-11-9-8-10-17(20)25(28)29/h8-13H,1-7H3,(H,28,29)