2-(hexylamino)-3-(1-oxidanylhexyl)benzoic acid

Systemtic Name: 2-(hexylamino)-3-(1-oxidanylhexyl)benzoic acid Openeye Name: 2-(hexylamino)-3-(1-hydroxyhexyl)benzoic acid CAS Name: 2-(hexylamino)-3-(1-hydroxyhexyl)benzoic acid IUPAC Name: 2-(hexylamino)-3-(1-hydroxyhexyl)benzoic acid Traditional Name: 2-(hexylamino)-3-(1-hydroxyhexyl)benzoic acid Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=CC=C1C(CCCCC)O)C(=O)O

Isomeric SMILES

CCCCCCNC1=C(C=CC=C1C(CCCCC)O)C(=O)O

InChI

InChI=1S/C19H31NO3/c1-3-5-7-9-14-20-18-15(17(21)13-8-6-4-2)11-10-12-16(18)19(22)23/h10-12,17,20-21H,3-9,13-14H2,1-2H3,(H,22,23)