2,5-bis(oxidanyl)-3,4,6-tris(phenylmethoxy)hexanal; phenylsulfanylbenzene

Systemtic Name: 2,5-bis(oxidanyl)-3,4,6-tris(phenylmethoxy)hexanal; phenylsulfanylbenzene Openeye Name: phenylsulfanylbenzene; 3,4,6-tribenzyloxy-2,5-dihydroxy-hexanal CAS Name: 2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal; (phenylthio)benzene IUPAC Name: 2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal; phenylsulfanylbenzene Traditional Name: (phenylthio)benzene; 3,4,6-tribenzoxy-2,5-dihydroxy-hexanal Formula: C39H40O6S MolecularWeight: 636.7963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30O6.C12H10S/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-16,24-27,29-30H,17-20H2;1-10H