2-[[(E)-octadec-9-enyl]-(2-oxidanylpropan-2-yl)amino]-2-sulfo-butanedioate

Systemtic Name: 2-[[(E)-octadec-9-enyl]-(2-oxidanylpropan-2-yl)amino]-2-sulfo-butanedioate Openeye Name: 2-[(1-hydroxy-1-methyl-ethyl)-[(E)-octadec-9-enyl]amino]-2-sulfo-butanedioate CAS Name: 2-[2-hydroxypropan-2-yl-[(E)-octadec-9-enyl]amino]-2-sulfobutanedioate IUPAC Name: 2-[2-hydroxypropan-2-yl-[(E)-octadec-9-enyl]amino]-2-sulfobutanedioate Traditional Name: 2-[(1-hydroxy-1-methyl-ethyl)-[(E)-octadec-9-enyl]amino]-2-sulfo-succinate Formula: C25H45NO8S-2 MolecularWeight: 519.6917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(C(C)(C)O)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(C)(C)O)C(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C25H47NO8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(24(2,3)31)25(23(29)30,21-22(27)28)35(32,33)34/h11-12,31H,4-10,13-21H2,1-3H3,(H,27,28)(H,29,30)(H,32,33,34)/p-2/b12-11+