7-methoxy-3-(4-methylhexan-2-yl)-10-oxidanyl-1H-benzo[g]isochromene-8,9-dione

Systemtic Name: 7-methoxy-3-(4-methylhexan-2-yl)-10-oxidanyl-1H-benzo[g]isochromene-8,9-dione Openeye Name: 3-(1,3-dimethylpentyl)-10-hydroxy-7-methoxy-1H-benzo[g]isochromene-8,9-dione CAS Name: 10-hydroxy-7-methoxy-3-(4-methylhexan-2-yl)-1H-benzo[g][2]benzopyran-8,9-dione IUPAC Name: 10-hydroxy-7-methoxy-3-(4-methylhexan-2-yl)-1H-benzo[g]isochromene-8,9-dione Traditional Name: 3-(1,3-dimethylpentyl)-10-hydroxy-7-methoxy-1H-benz[g]isochromene-8,9-quinone Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C1=CC2=C(CO1)C(=C3C(=C2)C=C(C(=O)C3=O)OC)O

Isomeric SMILES

CCC(C)CC(C)C1=CC2=C(CO1)C(=C3C(=C2)C=C(C(=O)C3=O)OC)O

InChI

InChI=1S/C21H24O5/c1-5-11(2)6-12(3)16-8-13-7-14-9-17(25-4)20(23)21(24)18(14)19(22)15(13)10-26-16/h7-9,11-12,22H,5-6,10H2,1-4H3