sodium 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonate

Systemtic Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonate Openeye Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonate CAS Name: sodium 5-methoxy-2-[[(Z)-1-oxooctadec-9-enyl]amino]benzenesulfonate IUPAC Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonate Traditional Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]besylate Formula: C25H40NNaO5S MolecularWeight: 489.64357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H41NO5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-23-20-19-22(31-2)21-24(23)32(28,29)30;/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,26,27)(H,28,29,30);/q;+1/p-1/b11-10-;