4-(6-methoxy-5-methyl-6-oxidanylidene-hexan-3-yl)benzenesulfonic acid

Systemtic Name: 4-(6-methoxy-5-methyl-6-oxidanylidene-hexan-3-yl)benzenesulfonic acid Openeye Name: 4-(1-ethyl-4-methoxy-3-methyl-4-oxo-butyl)benzenesulfonic acid CAS Name: 4-(6-methoxy-5-methyl-6-oxohexan-3-yl)benzenesulfonic acid IUPAC Name: 4-(6-methoxy-5-methyl-6-oxohexan-3-yl)benzenesulfonic acid Traditional Name: 4-(1-ethyl-4-keto-4-methoxy-3-methyl-butyl)besylic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(CC(C)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H20O5S/c1-4-11(9-10(2)14(15)19-3)12-5-7-13(8-6-12)20(16,17)18/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,18)