2-(4-heptylphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-(4-heptylphenyl)-1-oxidanyl-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(4-heptylphenyl)-1-hydroxy-2-oxo-ethanesulfonic acid CAS Name: 2-(4-heptylphenyl)-1-hydroxy-2-oxoethanesulfonic acid IUPAC Name: 2-(4-heptylphenyl)-1-hydroxy-2-oxoethanesulfonic acid Traditional Name: 2-(4-heptylphenyl)-1-hydroxy-2-keto-ethanesulfonic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C(O)S(=O)(=O)O

InChI

InChI=1S/C15H22O5S/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(16)15(17)21(18,19)20/h8-11,15,17H,2-7H2,1H3,(H,18,19,20)