3-azanyl-5-(4-octylphenyl)pentane-1-sulfonic acid

Systemtic Name: 3-azanyl-5-(4-octylphenyl)pentane-1-sulfonic acid Openeye Name: 3-amino-5-(4-octylphenyl)pentane-1-sulfonic acid CAS Name: 3-amino-5-(4-octylphenyl)-1-pentanesulfonic acid IUPAC Name: 3-amino-5-(4-octylphenyl)pentane-1-sulfonic acid Traditional Name: 3-amino-5-(4-octylphenyl)pentane-1-sulfonic acid Formula: C19H33NO3S MolecularWeight: 355.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CCS(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CCS(=O)(=O)O)N

InChI

InChI=1S/C19H33NO3S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20)15-16-24(21,22)23/h9-12,19H,2-8,13-16,20H2,1H3,(H,21,22,23)