[5-azido-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-methylsulfanyl-oxan-3-yl] 2-phenylbenzoate

Systemtic Name: [5-azido-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-methylsulfanyl-oxan-3-yl] 2-phenylbenzoate Openeye Name: [5-azido-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-methylsulfanyl-tetrahydropyran-3-yl] 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid [5-azido-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-(methylthio)-3-oxanyl] ester IUPAC Name: [5-azido-2-(hydroxymethyl)-4-[(4-methoxyphenyl)methoxy]-6-methylsulfanyloxan-3-yl] 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid [5-azido-2-methylol-6-(methylthio)-4-p-anisyloxy-tetrahydropyran-3-yl] ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2C(C(OC(C2OC(=O)C3=CC=CC=C3C4=CC=CC=C4)CO)SC)N=[N+]=[N-]

Isomeric SMILES

COC1=CC=C(C=C1)COC2C(C(OC(C2OC(=O)C3=CC=CC=C3C4=CC=CC=C4)CO)SC)N=[N+]=[N-]

InChI

InChI=1S/C28H29N3O6S/c1-34-20-14-12-18(13-15-20)17-35-26-24(30-31-29)28(38-2)36-23(16-32)25(26)37-27(33)22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-15,23-26,28,32H,16-17H2,1-2H3