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

Systemtic Name: 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonic acid Openeye Name: 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonic acid CAS Name: 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonic acid IUPAC Name: 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonic acid Traditional Name: 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]besylic acid Formula: C25H43NO4S MolecularWeight: 453.67822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1=C(C=C(C=C1)OC)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCNC1=C(C=C(C=C1)OC)S(=O)(=O)O

InChI

InChI=1S/C25H43NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-24-20-19-23(30-2)22-25(24)31(27,28)29/h10-11,19-20,22,26H,3-9,12-18,21H2,1-2H3,(H,27,28,29)/b11-10-