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

Systemtic Name: 3-[(dodecylamino)-phenyl-methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(dodecylamino)-phenyl-methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(dodecylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(dodecylamino)-phenylmethyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[(laurylamino)-phenyl-methyl]-1,2-naphthoquinone Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(22-17-12-11-13-18-22)25-27(31)23-19-14-15-20-24(23)28(32)29(25)33/h11-15,17-20,26,30-31H,2-10,16,21H2,1H3