7-[(4-methoxyphenyl)-(7-oxidanylidene-4-propan-2-yl-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)methyl]-4-propan-2-yl-2-sulfanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-[(4-methoxyphenyl)-(7-oxidanylidene-4-propan-2-yl-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)methyl]-4-propan-2-yl-2-sulfanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-[(4-isopropyl-7-oxo-6-sulfanyl-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-2-sulfanyl-cyclohepta-2,4,6-trien-1-one CAS Name: 2-mercapto-7-[(6-mercapto-7-oxo-4-propan-2-yl-1-cyclohepta-1,3,5-trienyl)-(4-methoxyphenyl)methyl]-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-[(4-methoxyphenyl)-(7-oxo-4-propan-2-yl-6-sulfanylcyclohepta-1,3,5-trien-1-yl)methyl]-4-propan-2-yl-2-sulfanylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-[(4-isopropyl-7-keto-6-mercapto-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-2-mercapto-cyclohepta-2,4,6-trien-1-one Formula: C28H30O3S2 MolecularWeight: 478.666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O3S2/c1-16(2)19-8-12-22(27(29)24(32)14-19)26(18-6-10-21(31-5)11-7-18)23-13-9-20(17(3)4)15-25(33)28(23)30/h6-17,26H,1-5H3,(H,29,32)(H,30,33)