4-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid Openeye Name: 4-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid CAS Name: 4-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid Traditional Name: 4-[[(E)-octadec-9-enyl]amino]besylic acid Formula: C24H41NO3S MolecularWeight: 423.65224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C24H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24(21-19-23)29(26,27)28/h9-10,18-21,25H,2-8,11-17,22H2,1H3,(H,26,27,28)/b10-9+