1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione

Systemtic Name: 1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione Openeye Name: 1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-dione CAS Name: 1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methylnaphtho[2,3-b]oxirene-2,7-dione IUPAC Name: 1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methylnaphtho[2,3-b]oxirene-2,7-dione Traditional Name: 1a-[(E)-3,7-dimethylhexadec-2-enyl]-7a-methyl-naphtho[2,3-b]oxirene-2,7-quinone Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CCCC(=CCC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)C

Isomeric SMILES

CCCCCCCCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C

InChI

InChI=1S/C29H42O3/c1-5-6-7-8-9-10-11-15-22(2)16-14-17-23(3)20-21-29-27(31)25-19-13-12-18-24(25)26(30)28(29,4)32-29/h12-13,18-20,22H,5-11,14-17,21H2,1-4H3/b23-20+