8-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-octane-4-sulfonic acid

Systemtic Name: 8-(3-methoxy-4-oxidanyl-phenyl)-6-oxidanylidene-octane-4-sulfonic acid Openeye Name: 8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-octane-4-sulfonic acid CAS Name: 8-(4-hydroxy-3-methoxyphenyl)-6-oxo-4-octanesulfonic acid IUPAC Name: 8-(4-hydroxy-3-methoxyphenyl)-6-oxooctane-4-sulfonic acid Traditional Name: 8-(4-hydroxy-3-methoxy-phenyl)-6-keto-octane-4-sulfonic acid Formula: C15H22O6S MolecularWeight: 330.39658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O6S/c1-3-4-13(22(18,19)20)10-12(16)7-5-11-6-8-14(17)15(9-11)21-2/h6,8-9,13,17H,3-5,7,10H2,1-2H3,(H,18,19,20)