5-[[(E)-octadec-9-enyl]amino]-5-oxidanylidene-3-sulfo-pentane-1,2,3-tricarboxylic acid

Systemtic Name: 5-[[(E)-octadec-9-enyl]amino]-5-oxidanylidene-3-sulfo-pentane-1,2,3-tricarboxylic acid Openeye Name: 5-[[(E)-octadec-9-enyl]amino]-5-oxo-3-sulfo-pentane-1,2,3-tricarboxylic acid CAS Name: 5-[[(E)-octadec-9-enyl]amino]-5-oxo-3-sulfopentane-1,2,3-tricarboxylic acid IUPAC Name: 5-[[(E)-octadec-9-enyl]amino]-5-oxo-3-sulfopentane-1,2,3-tricarboxylic acid Traditional Name: 5-keto-5-[[(E)-octadec-9-enyl]amino]-3-sulfo-pentane-1,2,3-tricarboxylic acid Formula: C26H45NO10S MolecularWeight: 563.7012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-22(28)20-26(25(33)34,38(35,36)37)21(24(31)32)19-23(29)30/h9-10,21H,2-8,11-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)/b10-9+