1,7,9,11-tetrakis(oxidanyl)-3-pentyl-benzo[a]tetracene-8,13-dione

Systemtic Name: 1,7,9,11-tetrakis(oxidanyl)-3-pentyl-benzo[a]tetracene-8,13-dione Openeye Name: 1,7,9,11-tetrahydroxy-3-pentyl-benzo[a]tetracene-8,13-dione CAS Name: 1,7,9,11-tetrahydroxy-3-pentylbenzo[a]tetracene-8,13-dione IUPAC Name: 1,7,9,11-tetrahydroxy-3-pentylbenzo[a]tetracene-8,13-dione Traditional Name: 3-amyl-1,7,9,11-tetrahydroxy-benzo[a]tetracene-8,13-quinone Formula: C27H22O6 MolecularWeight: 442.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O

Isomeric SMILES

CCCCCC1=CC(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O

InChI

InChI=1S/C27H22O6/c1-2-3-4-5-13-8-14-6-7-16-17(22(14)20(29)9-13)12-19-24(26(16)32)27(33)23-18(25(19)31)10-15(28)11-21(23)30/h6-12,28-30,32H,2-5H2,1H3