4-methoxy-2,6,10-tris(oxidanyl)benzo[a]pyrene-5,12-dione

Systemtic Name: 4-methoxy-2,6,10-tris(oxidanyl)benzo[a]pyrene-5,12-dione Openeye Name: 2,6,10-trihydroxy-4-methoxy-benzo[a]pyrene-5,12-dione CAS Name: 2,6,10-trihydroxy-4-methoxybenzo[a]pyrene-5,12-dione IUPAC Name: 2,6,10-trihydroxy-4-methoxybenzo[a]pyrene-5,12-dione Traditional Name: 2,6,10-trihydroxy-4-methoxy-benzo[a]pyrene-5,12-quinone Formula: C21H12O6 MolecularWeight: 360.31638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C=C3C2=C4C(=CC3=O)C5=C(C=CC=C5O)C(=C4C1=O)O)O

Isomeric SMILES

COC1=C2C=C(C=C3C2=C4C(=CC3=O)C5=C(C=CC=C5O)C(=C4C1=O)O)O

InChI

InChI=1S/C21H12O6/c1-27-21-12-6-8(22)5-10-14(24)7-11-15-9(3-2-4-13(15)23)19(25)18(20(21)26)17(11)16(10)12/h2-7,22-23,25H,1H3