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

Systemtic Name: S-ethyl 4-[4-(1-oxidanylbutylidene)-3,5-bis(oxidanylidene)cyclohexyl]benzenecarbothioate Openeye Name: S-ethyl 4-[4-(1-hydroxybutylidene)-3,5-dioxo-cyclohexyl]benzenecarbothioate CAS Name: 4-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]benzenecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 4-[4-(1-hydroxybutylidene)-3,5-dioxocyclohexyl]benzenecarbothioate Traditional Name: 4-[4-(1-hydroxybutylidene)-3,5-diketo-cyclohexyl]thiobenzoic acid S-ethyl ester Formula: C19H22O4S MolecularWeight: 346.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O4S/c1-3-5-15(20)18-16(21)10-14(11-17(18)22)12-6-8-13(9-7-12)19(23)24-4-2/h6-9,14,20H,3-5,10-11H2,1-2H3