S-methyl 4-[4-(1-oxidanylbutylidene)-3,5-bis(oxidanylidene)cyclohexyl]benzenecarbothioate

Systemtic Name: S-methyl 4-[4-(1-oxidanylbutylidene)-3,5-bis(oxidanylidene)cyclohexyl]benzenecarbothioate Openeye Name: S-methyl 4-[4-(1-hydroxybutylidene)-3,5-dioxo-cyclohexyl]benzenecarbothioate CAS Name: 4-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]benzenecarbothioate Traditional Name: 4-[4-(1-hydroxybutylidene)-3,5-diketo-cyclohexyl]thiobenzoic acid S-methyl ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)C(=O)SC)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)C(=O)SC)O

InChI

InChI=1S/C18H20O4S/c1-3-4-14(19)17-15(20)9-13(10-16(17)21)11-5-7-12(8-6-11)18(22)23-2/h5-8,13,19H,3-4,9-10H2,1-2H3