3-methoxy-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-methoxy-2-[[(E)-octadec-9-enoyl]amino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-methoxy-2-[[(E)-octadec-9-enoyl]amino]-3-oxo-propane-1-sulfonic acid CAS Name: 3-methoxy-3-oxo-2-[[(E)-1-oxooctadec-9-enyl]amino]-1-propanesulfonic acid IUPAC Name: 3-methoxy-2-[[(E)-octadec-9-enoyl]amino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-keto-3-methoxy-2-[[(E)-octadec-9-enoyl]amino]propane-1-sulfonic acid Formula: C22H41NO6S MolecularWeight: 447.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C22H41NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20(22(25)29-2)19-30(26,27)28/h10-11,20H,3-9,12-19H2,1-2H3,(H,23,24)(H,26,27,28)/b11-10+