1-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonic acid

Systemtic Name: 1-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonic acid Openeye Name: 1-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonic acid CAS Name: 1-[methyl-[(E)-1-oxooctadec-9-enyl]amino]ethanesulfonic acid IUPAC Name: 1-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonic acid Traditional Name: 1-[methyl-[(E)-octadec-9-enoyl]amino]ethanesulfonic acid Formula: C21H41NO4S MolecularWeight: 403.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)C(C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C(C)S(=O)(=O)O

InChI

InChI=1S/C21H41NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22(3)20(2)27(24,25)26/h11-12,20H,4-10,13-19H2,1-3H3,(H,24,25,26)/b12-11+