3-(dodecylamino)-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-(dodecylamino)-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-(dodecylamino)-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-(dodecylamino)-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-(dodecylamino)-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-(laurylamino)-1,2-naphthoquinone Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16-23-19-20(24)17-14-11-12-15-18(17)21(25)22(19)26/h11-12,14-15,23-24H,2-10,13,16H2,1H3