3-heptadecyl-5-(pentylamino)benzene-1,2-diol

Systemtic Name: 3-heptadecyl-5-(pentylamino)benzene-1,2-diol Openeye Name: 3-heptadecyl-5-(pentylamino)benzene-1,2-diol CAS Name: 3-heptadecyl-5-(pentylamino)benzene-1,2-diol IUPAC Name: 3-heptadecyl-5-(pentylamino)benzene-1,2-diol Traditional Name: 5-(amylamino)-3-heptadecyl-pyrocatechol Formula: C28H51NO2 MolecularWeight: 433.71004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1O)O)NCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1O)O)NCCCCC

InChI

InChI=1S/C28H51NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-26(24-27(30)28(25)31)29-22-20-6-4-2/h23-24,29-31H,3-22H2,1-2H3