5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid

Systemtic Name: 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid Openeye Name: 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid CAS Name: 5-methoxy-2-[[(Z)-1-oxooctadec-9-enyl]amino]benzenesulfonic acid IUPAC Name: 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]benzenesulfonic acid Traditional Name: 5-methoxy-2-[[(Z)-octadec-9-enoyl]amino]besylic acid Formula: C25H41NO5S MolecularWeight: 467.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NC1=C(C=C(C=C1)OC)S(=O)(=O)O

InChI

InChI=1S/C25H41NO5S/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)/b11-10-