2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethanesulfonic acid

Systemtic Name: 2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethanesulfonic acid Openeye Name: 2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethanesulfonic acid CAS Name: 2-[bis[2-[(Z)-1-oxooctadec-9-enoxy]ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethanesulfonic acid Traditional Name: 2-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethanesulfonic acid Formula: C42H79NO7S MolecularWeight: 742.14416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCCCCCCCC)CCS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(CCS(=O)(=O)O)CCOC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C42H79NO7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)49-38-35-43(37-40-51(46,47)48)36-39-50-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3,(H,46,47,48)/b19-17-,20-18-