[2-ethylsulfanyl-6-(hydroxymethyl)-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl] benzoate

Systemtic Name: [2-ethylsulfanyl-6-(hydroxymethyl)-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl] benzoate Openeye Name: [3-benzoyloxy-5-benzyloxy-2-ethylsulfanyl-6-(hydroxymethyl)tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(ethylthio)-6-(hydroxymethyl)-5-phenylmethoxy-4-oxanyl] ester IUPAC Name: [3-benzoyloxy-2-ethylsulfanyl-6-(hydroxymethyl)-5-phenylmethoxyoxan-4-yl] benzoate Traditional Name: benzoic acid [5-benzoxy-3-benzoyloxy-2-(ethylthio)-6-methylol-tetrahydropyran-4-yl] ester Formula: C29H30O7S MolecularWeight: 522.6093

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCSC1C(C(C(C(O1)CO)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H30O7S/c1-2-37-29-26(36-28(32)22-16-10-5-11-17-22)25(35-27(31)21-14-8-4-9-15-21)24(23(18-30)34-29)33-19-20-12-6-3-7-13-20/h3-17,23-26,29-30H,2,18-19H2,1H3