4-[[(Z)-octadec-9-enyl]amino]-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[[(Z)-octadec-9-enyl]amino]-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[[(Z)-octadec-9-enyl]amino]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-[[(Z)-octadec-9-enyl]amino]-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-[[(Z)-octadec-9-enyl]amino]-4-oxo-3-sulfobutanoic acid Traditional Name: 4-keto-4-[[(Z)-octadec-9-enyl]amino]-3-sulfo-butyric acid Formula: C22H41NO6S MolecularWeight: 447.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCNC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H41NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(26)20(19-21(24)25)30(27,28)29/h9-10,20H,2-8,11-19H2,1H3,(H,23,26)(H,24,25)(H,27,28,29)/b10-9-