4-(2-nonylphenoxy)-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: 4-(2-nonylphenoxy)-4-oxidanylidene-2-sulfo-butanoate Openeye Name: 4-(2-nonylphenoxy)-4-oxo-2-sulfo-butanoate CAS Name: 4-(2-nonylphenoxy)-4-oxo-2-sulfobutanoate IUPAC Name: 4-(2-nonylphenoxy)-4-oxo-2-sulfobutanoate Traditional Name: 4-keto-4-(2-nonylphenoxy)-2-sulfo-butyrate Formula: C19H27O7S- MolecularWeight: 399.47848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CC(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CC(C(=O)[O-])S(=O)(=O)O

InChI

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