S-[(2R,3R)-2,3-dicyclohexyl-8-oxidanylidene-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate

Systemtic Name: S-[(2R,3R)-2,3-dicyclohexyl-8-oxidanylidene-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate Openeye Name: S-[(2R,3R)-2,3-dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R,3R)-2,3-dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-en-10-yl] ester IUPAC Name: S-[(2R,3R)-2,3-dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R,3R)-2,3-dicyclohexyl-8-keto-1,4-dioxaspiro[4.5]dec-6-en-10-yl] ester Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)[C@@H]2[C@H](OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H34O4S/c28-22-16-17-27(23(18-22)32-26(29)21-14-8-3-9-15-21)30-24(19-10-4-1-5-11-19)25(31-27)20-12-6-2-7-13-20/h3,8-9,14-17,19-20,23-25H,1-2,4-7,10-13,18H2/t23?,24-,25-/m1/s1