[5-oxidanyl-1-oxidanylidene-3,4,6-tris(phenylmethoxy)hexan-2-yl] 2,2-dimethyl-3-oxidanylidene-butanoate; phenylsulfanylbenzene

Systemtic Name: [5-oxidanyl-1-oxidanylidene-3,4,6-tris(phenylmethoxy)hexan-2-yl] 2,2-dimethyl-3-oxidanylidene-butanoate; phenylsulfanylbenzene Openeye Name: phenylsulfanylbenzene; (2,3,5-tribenzyloxy-1-formyl-4-hydroxy-pentyl) 2,2-dimethyl-3-oxo-butanoate CAS Name: 2,2-dimethyl-3-oxobutanoic acid [5-hydroxy-1-oxo-3,4,6-tris(phenylmethoxy)hexan-2-yl] ester; (phenylthio)benzene IUPAC Name: [5-hydroxy-1-oxo-3,4,6-tris(phenylmethoxy)hexan-2-yl] 2,2-dimethyl-3-oxobutanoate; phenylsulfanylbenzene Traditional Name: 3-keto-2,2-dimethyl-butyric acid (2,3,5-tribenzoxy-1-formyl-4-hydroxy-pentyl) ester; (phenylthio)benzene Formula: C45H48O8S MolecularWeight: 748.92282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)C(=O)OC(C=O)C(C(C(COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3.C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(C)(C)C(=O)OC(C=O)C(C(C(COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3.C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C33H38O8.C12H10S/c1-24(35)33(2,3)32(37)41-29(19-34)31(40-22-27-17-11-6-12-18-27)30(39-21-26-15-9-5-10-16-26)28(36)23-38-20-25-13-7-4-8-14-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-19,28-31,36H,20-23H2,1-3H3;1-10H