[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [4,5-dibenzyloxy-6-(benzyloxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [4,5-dibenzoxy-6-(benzoxymethyl)-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C40H38O6S MolecularWeight: 646.79112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H38O6S/c41-39(33-22-12-4-13-23-33)46-38-37(44-28-32-20-10-3-11-21-32)36(43-27-31-18-8-2-9-19-31)35(29-42-26-30-16-6-1-7-17-30)45-40(38)47-34-24-14-5-15-25-34/h1-25,35-38,40H,26-29H2