3-[(hexadecylamino)-phenyl-methyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(hexadecylamino)-phenyl-methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(hexadecylamino)-phenyl-methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(hexadecylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(hexadecylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(cetylamino)-phenyl-methyl]-4-hydroxy-1,2-naphthoquinone Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O

InChI

InChI=1S/C33H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-34-30(26-21-16-15-17-22-26)29-31(35)27-23-18-19-24-28(27)32(36)33(29)37/h15-19,21-24,30,34-35H,2-14,20,25H2,1H3