disodium 2-[[(E)-octadec-9-enoyl]amino]-2-sulfo-butanedioate

Systemtic Name: disodium 2-[[(E)-octadec-9-enoyl]amino]-2-sulfo-butanedioate Openeye Name: disodium 2-[[(E)-octadec-9-enoyl]amino]-2-sulfo-butanedioate CAS Name: disodium 2-[[(E)-1-oxooctadec-9-enyl]amino]-2-sulfobutanedioate IUPAC Name: disodium 2-[[(E)-octadec-9-enoyl]amino]-2-sulfobutanedioate Traditional Name: disodium 2-[[(E)-octadec-9-enoyl]amino]-2-sulfo-succinate Formula: C22H37NNa2O8S MolecularWeight: 521.57562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)23-22(21(27)28,18-20(25)26)32(29,30)31;;/h9-10H,2-8,11-18H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31);;/q;2*+1/p-2/b10-9+;;