[3,4-diacetyloxy-5-azido-6-(4-hydroxyphenyl)sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4-diacetyloxy-5-azido-6-(4-hydroxyphenyl)sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [3,4-diacetoxy-5-azido-6-(4-hydroxyphenyl)sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4-diacetyloxy-5-azido-6-[(4-hydroxyphenyl)thio]-2-oxanyl]methyl ester IUPAC Name: [3,4-diacetyloxy-5-azido-6-(4-hydroxyphenyl)sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4-diacetoxy-5-azido-6-[(4-hydroxyphenyl)thio]tetrahydropyran-2-yl]methyl ester Formula: C18H21N3O8S MolecularWeight: 439.43964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2=CC=C(C=C2)O)N=[N+]=[N-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)SC2=CC=C(C=C2)O)N=[N+]=[N-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H21N3O8S/c1-9(22)26-8-14-16(27-10(2)23)17(28-11(3)24)15(20-21-19)18(29-14)30-13-6-4-12(25)5-7-13/h4-7,14-18,25H,8H2,1-3H3