2-[6-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)hexoxy]-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 2-[6-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)hexoxy]-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 2-[6-(3-hydroxy-5-oxo-cyclopenten-1-yl)hexoxy]-6-thioxo-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 2-[6-(3-hydroxy-5-oxo-1-cyclopentenyl)hexoxy]-6-sulfanylidene-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 2-[6-(3-hydroxy-5-oxocyclopenten-1-yl)hexoxy]-6-sulfanylidenecyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 2-[6-(3-hydroxy-5-keto-cyclopenten-1-yl)hexoxy]-6-thioxo-cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H22O5S MolecularWeight: 350.42928

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C(C1=O)CCCCCCOC2=CC=CC(=S)C2C(=O)O)O

Isomeric SMILES

C1C(C=C(C1=O)CCCCCCOC2=CC=CC(=S)C2C(=O)O)O

InChI

InChI=1S/C18H22O5S/c19-13-10-12(14(20)11-13)6-3-1-2-4-9-23-15-7-5-8-16(24)17(15)18(21)22/h5,7-8,10,13,17,19H,1-4,6,9,11H2,(H,21,22)