dimethyl 4-[4,5-bis(methoxycarbonyl)cyclohexa-1,4-dien-1-yl]sulfanylcyclohexa-1,4-diene-1,2-dicarboxylate

Systemtic Name: dimethyl 4-[4,5-bis(methoxycarbonyl)cyclohexa-1,4-dien-1-yl]sulfanylcyclohexa-1,4-diene-1,2-dicarboxylate Openeye Name: dimethyl 4-[4,5-bis(methoxycarbonyl)cyclohexa-1,4-dien-1-yl]sulfanylcyclohexa-1,4-diene-1,2-dicarboxylate CAS Name: 4-[[4,5-bis(methoxycarbonyl)-1-cyclohexa-1,4-dienyl]thio]cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4,5-bis(methoxycarbonyl)cyclohexa-1,4-dien-1-yl]sulfanylcyclohexa-1,4-diene-1,2-dicarboxylate Traditional Name: 4-[(4,5-dicarbomethoxycyclohexa-1,4-dien-1-yl)thio]cyclohexa-1,4-diene-1,2-dicarboxylic acid dimethyl ester Formula: C20H22O8S MolecularWeight: 422.44888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=CC1)SC2=CCC(=C(C2)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(CC(=CC1)SC2=CCC(=C(C2)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22O8S/c1-25-17(21)13-7-5-11(9-15(13)19(23)27-3)29-12-6-8-14(18(22)26-2)16(10-12)20(24)28-4/h5-6H,7-10H2,1-4H3