3-[octyl(phenyl)amino]propane-1-sulfonic acid

Systemtic Name: 3-[octyl(phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-octylanilino)propane-1-sulfonic acid CAS Name: 3-(N-octylanilino)-1-propanesulfonic acid IUPAC Name: 3-(N-octylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-octylanilino)propane-1-sulfonic acid Formula: C17H29NO3S MolecularWeight: 327.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCS(=O)(=O)O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCN(CCCS(=O)(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C17H29NO3S/c1-2-3-4-5-6-10-14-18(15-11-16-22(19,20)21)17-12-8-7-9-13-17/h7-9,12-13H,2-6,10-11,14-16H2,1H3,(H,19,20,21)