4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[2-[2-hydroxyethyl-[(Z)-1-oxooctadec-9-enyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[2-[2-hydroxyethyl-[(Z)-octadec-9-enoyl]amino]ethoxy]-4-keto-2-sulfo-butyric acid Formula: C26H47NO9S MolecularWeight: 549.71768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H47NO9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35/h9-10,23,28H,2-8,11-22H2,1H3,(H,31,32)(H,33,34,35)/b10-9-