[3-acetyloxy-1,4-bis(oxidanyl)-5-oxidanylidene-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)carbonyl-hexan-2-yl] ethanoate

Systemtic Name: [3-acetyloxy-1,4-bis(oxidanyl)-5-oxidanylidene-4-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)carbonyl-hexan-2-yl] ethanoate Openeye Name: [2-acetoxy-3-hydroxy-1-(hydroxymethyl)-4-oxo-3-(6-thioxocyclohexa-1,3-diene-1-carbonyl)pentyl] acetate CAS Name: acetic acid [3-acetyloxy-1,4-dihydroxy-5-oxo-4-[oxo-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)methyl]hexan-2-yl] ester IUPAC Name: [3-acetyloxy-1,4-dihydroxy-5-oxo-4-(6-sulfanylidenecyclohexa-1,3-diene-1-carbonyl)hexan-2-yl] acetate Traditional Name: acetic acid [2-acetoxy-3-hydroxy-4-keto-1-methylol-3-(6-thioxocyclohexa-1,3-diene-1-carbonyl)pentyl] ester Formula: C17H20O8S MolecularWeight: 384.4009

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C(CO)OC(=O)C)OC(=O)C)(C(=O)C1=CC=CCC1=S)O

Isomeric SMILES

CC(=O)C(C(C(CO)OC(=O)C)OC(=O)C)(C(=O)C1=CC=CCC1=S)O

InChI

InChI=1S/C17H20O8S/c1-9(19)17(23,15(22)12-6-4-5-7-14(12)26)16(25-11(3)21)13(8-18)24-10(2)20/h4-6,13,16,18,23H,7-8H2,1-3H3