butan-1-amine; 3-dodecyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: butan-1-amine; 3-dodecyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: butan-1-amine; 3-dodecyl-4-hydroxy-naphthalene-1,2-dione CAS Name: 1-butanamine; 3-dodecyl-4-hydroxynaphthalene-1,2-dione IUPAC Name: butan-1-amine; 3-dodecyl-4-hydroxynaphthalene-1,2-dione Traditional Name: butylamine; 4-hydroxy-3-lauryl-1,2-naphthoquinone Formula: C26H41NO3 MolecularWeight: 415.60864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O.CCCCN

Isomeric SMILES

CCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O.CCCCN

InChI

InChI=1S/C22H30O3.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-16-19-20(23)17-14-12-13-15-18(17)21(24)22(19)25;1-2-3-4-5/h12-15,23H,2-11,16H2,1H3;2-5H2,1H3