3-[1-(butylamino)dodecyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[1-(butylamino)dodecyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-[1-(butylamino)dodecyl]-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-[1-(butylamino)dodecyl]-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-[1-(butylamino)dodecyl]-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-[1-(butylamino)dodecyl]-4-hydroxy-1,2-naphthoquinone Formula: C26H39NO3 MolecularWeight: 413.59276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)NCCCC

Isomeric SMILES

CCCCCCCCCCCC(C1=C(C2=CC=CC=C2C(=O)C1=O)O)NCCCC

InChI

InChI=1S/C26H39NO3/c1-3-5-7-8-9-10-11-12-13-18-22(27-19-6-4-2)23-24(28)20-16-14-15-17-21(20)25(29)26(23)30/h14-17,22,27-28H,3-13,18-19H2,1-2H3