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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCOCCOC(=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(28)27-18-19-35-20-21-36-25(29)22-23(26(30)31)37(32,33)34/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,30,31)(H,32,33,34)/b10-9+