dicyclohexyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzene-1,4-dicarboxylate

Systemtic Name: dicyclohexyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzene-1,4-dicarboxylate Openeye Name: dicyclohexyl 2-(4,4-dimethylthiochroman-6-yl)benzene-1,4-dicarboxylate CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)benzene-1,4-dicarboxylic acid dicyclohexyl ester IUPAC Name: dicyclohexyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzene-1,4-dicarboxylate Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)benzene-1,4-dicarboxylic acid dicyclohexyl ester Formula: C31H38O4S MolecularWeight: 506.69602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(=O)OC4CCCCC4)C(=O)OC5CCCCC5)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3=C(C=CC(=C3)C(=O)OC4CCCCC4)C(=O)OC5CCCCC5)C

InChI

InChI=1S/C31H38O4S/c1-31(2)17-18-36-28-16-14-21(20-27(28)31)26-19-22(29(32)34-23-9-5-3-6-10-23)13-15-25(26)30(33)35-24-11-7-4-8-12-24/h13-16,19-20,23-24H,3-12,17-18H2,1-2H3