sodium 4-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: sodium 4-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: sodium 4-[(E)-octadec-9-enoyl]oxy-4-oxo-3-sulfo-butanoate CAS Name: sodium 4-oxo-4-[(E)-1-oxooctadec-9-enoxy]-3-sulfobutanoate IUPAC Name: sodium 4-[(E)-octadec-9-enoyl]oxy-4-oxo-3-sulfobutanoate Traditional Name: sodium 4-keto-4-[(E)-octadec-9-enoyl]oxy-3-sulfo-butyrate Formula: C22H37NaO8S MolecularWeight: 484.57915

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C22H38O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)30-22(26)19(18-20(23)24)31(27,28)29;/h9-10,19H,2-8,11-18H2,1H3,(H,23,24)(H,27,28,29);/q;+1/p-1/b10-9+;