[2-[(4-azido-3-chloranyl-phenyl)methoxymethyl]-4,5-bis(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate

Systemtic Name: [2-[(4-azido-3-chloranyl-phenyl)methoxymethyl]-4,5-bis(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [2-[(4-azido-3-chloro-phenyl)methoxymethyl]-4,5-dibenzoyloxy-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [2-[(4-azido-3-chlorophenyl)methoxymethyl]-4,5-dibenzoyloxy-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [2-[(4-azido-3-chlorophenyl)methoxymethyl]-4,5-dibenzoyloxy-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [2-[(4-azido-3-chloro-benzyl)oxymethyl]-4,5-dibenzoyloxy-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C40H32ClN3O8S MolecularWeight: 750.21538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=CC=CC=C5)COCC6=CC(=C(C=C6)N=[N+]=[N-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)SC5=CC=CC=C5)COCC6=CC(=C(C=C6)N=[N+]=[N-])Cl

InChI

InChI=1S/C40H32ClN3O8S/c41-31-23-26(21-22-32(31)43-44-42)24-48-25-33-34(50-37(45)27-13-5-1-6-14-27)35(51-38(46)28-15-7-2-8-16-28)36(52-39(47)29-17-9-3-10-18-29)40(49-33)53-30-19-11-4-12-20-30/h1-23,33-36,40H,24-25H2