methyl 4-[(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)sulfanylcarbonyl]benzoate

Systemtic Name: methyl 4-[(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)sulfanylcarbonyl]benzoate Openeye Name: methyl 4-(1,1-dimethyl-4-oxo-tetralin-6-yl)sulfanylcarbonylbenzoate CAS Name: 4-[[(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)thio]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)sulfanylcarbonyl]benzoate Traditional Name: 4-[(4-keto-1,1-dimethyl-tetralin-6-yl)thio]carbonylbenzoic acid methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)SC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)SC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H20O4S/c1-21(2)11-10-18(22)16-12-15(8-9-17(16)21)26-20(24)14-6-4-13(5-7-14)19(23)25-3/h4-9,12H,10-11H2,1-3H3