3-hexadecyl-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-hexadecyl-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 3-hexadecyl-4-hydroxy-naphthalene-1,2-dione CAS Name: 3-hexadecyl-4-hydroxynaphthalene-1,2-dione IUPAC Name: 3-hexadecyl-4-hydroxynaphthalene-1,2-dione Traditional Name: 3-cetyl-4-hydroxy-1,2-naphthoquinone Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O

InChI

InChI=1S/C26H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-24(27)21-18-16-17-19-22(21)25(28)26(23)29/h16-19,27H,2-15,20H2,1H3