[2-(acetyloxymethyl)-5-(phenylcarbonyloxy)-3-phenylmethoxy-6-sulfanyl-oxan-4-yl] benzoate

Systemtic Name: [2-(acetyloxymethyl)-5-(phenylcarbonyloxy)-3-phenylmethoxy-6-sulfanyl-oxan-4-yl] benzoate Openeye Name: [2-(acetoxymethyl)-5-benzoyloxy-3-benzyloxy-6-sulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [2-(acetyloxymethyl)-5-benzoyloxy-6-mercapto-3-phenylmethoxy-4-oxanyl] ester IUPAC Name: [2-(acetyloxymethyl)-5-benzoyloxy-3-phenylmethoxy-6-sulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [2-(acetoxymethyl)-3-benzoxy-5-benzoyloxy-6-mercapto-tetrahydropyran-4-yl] ester Formula: C29H28O8S MolecularWeight: 536.59282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28O8S/c1-19(30)33-18-23-24(34-17-20-11-5-2-6-12-20)25(36-27(31)21-13-7-3-8-14-21)26(29(38)35-23)37-28(32)22-15-9-4-10-16-22/h2-16,23-26,29,38H,17-18H2,1H3