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

Systemtic Name: 3-[(hexylamino)methyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[(hexylamino)methyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[(hexylamino)methyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[(hexylamino)methyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[(hexylamino)methyl]-4-hydroxy-1,2-naphthoquinone Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCNCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C17H21NO3/c1-2-3-4-7-10-18-11-14-15(19)12-8-5-6-9-13(12)16(20)17(14)21/h5-6,8-9,18-19H,2-4,7,10-11H2,1H3