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

Systemtic Name: 3-[(dodecylamino)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(dodecylamino)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(dodecylamino)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(dodecylamino)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[(laurylamino)methyl]-1,2-naphthoquinone Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCNCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-13-16-24-17-20-21(25)18-14-11-12-15-19(18)22(26)23(20)27/h11-12,14-15,24-25H,2-10,13,16-17H2,1H3