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

Systemtic Name: S-[(2R,3R)-8-oxidanylidene-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate Openeye Name: S-[(2R,3R)-8-oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(2R,3R)-8-oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-6-en-10-yl] ester IUPAC Name: S-[(2R,3R)-8-oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-6-en-10-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2R,3R)-8-keto-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-6-en-10-yl] ester Formula: C27H22O4S MolecularWeight: 442.52618

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2(C=CC1=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(C2(C=CC1=O)O[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22O4S/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/h1-17,23-25H,18H2/t23?,24-,25-/m1/s1