1-(3-methoxy-5-oxidanyl-cyclohepta-2,4,6-trien-1-yl)-3-oxidanylidene-decane-5-sulfonic acid

Systemtic Name: 1-(3-methoxy-5-oxidanyl-cyclohepta-2,4,6-trien-1-yl)-3-oxidanylidene-decane-5-sulfonic acid Openeye Name: 1-(5-hydroxy-3-methoxy-cyclohepta-2,4,6-trien-1-yl)-3-oxo-decane-5-sulfonic acid CAS Name: 1-(5-hydroxy-3-methoxy-1-cyclohepta-2,4,6-trienyl)-3-oxo-5-decanesulfonic acid IUPAC Name: 1-(5-hydroxy-3-methoxycyclohepta-2,4,6-trien-1-yl)-3-oxodecane-5-sulfonic acid Traditional Name: 1-(5-hydroxy-3-methoxy-cyclohepta-2,4,6-trien-1-yl)-3-keto-decane-5-sulfonic acid Formula: C18H28O6S MolecularWeight: 372.47632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)CCC1C=CC(=CC(=C1)OC)O)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CC(=O)CCC1C=CC(=CC(=C1)OC)O)S(=O)(=O)O

InChI

InChI=1S/C18H28O6S/c1-3-4-5-6-18(25(21,22)23)13-16(20)10-8-14-7-9-15(19)12-17(11-14)24-2/h7,9,11-12,14,18-19H,3-6,8,10,13H2,1-2H3,(H,21,22,23)