S-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl] benzenecarbothioate

Systemtic Name: S-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]methyl] benzenecarbothioate Openeye Name: S-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ester IUPAC Name: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2,6-diketo-4,4-dimethyl-cyclohexyl)methyl] ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)CSC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)CSC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H18O3S/c1-16(2)8-13(17)12(14(18)9-16)10-20-15(19)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3