1-(4-acetyloxy-3-methoxy-phenyl)-3-oxidanylidene-decane-5-sulfonic acid

Systemtic Name: 1-(4-acetyloxy-3-methoxy-phenyl)-3-oxidanylidene-decane-5-sulfonic acid Openeye Name: 1-(4-acetoxy-3-methoxy-phenyl)-3-oxo-decane-5-sulfonic acid CAS Name: 1-(4-acetyloxy-3-methoxyphenyl)-3-oxo-5-decanesulfonic acid IUPAC Name: 1-(4-acetyloxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid Traditional Name: 1-(4-acetoxy-3-methoxy-phenyl)-3-keto-decane-5-sulfonic acid Formula: C19H28O7S MolecularWeight: 400.48642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O7S/c1-4-5-6-7-17(27(22,23)24)13-16(21)10-8-15-9-11-18(26-14(2)20)19(12-15)25-3/h9,11-12,17H,4-8,10,13H2,1-3H3,(H,22,23,24)