13-methyl-1,7,9,11,13-pentakis(oxidanyl)-8-oxidanylidene-3-pentyl-benzo[a]tetracene-2-carboxylic acid

Systemtic Name: 13-methyl-1,7,9,11,13-pentakis(oxidanyl)-8-oxidanylidene-3-pentyl-benzo[a]tetracene-2-carboxylic acid Openeye Name: 1,7,9,11,13-pentahydroxy-13-methyl-8-oxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid CAS Name: 1,7,9,11,13-pentahydroxy-13-methyl-8-oxo-3-pentyl-2-benzo[a]tetracenecarboxylic acid IUPAC Name: 1,7,9,11,13-pentahydroxy-13-methyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid Traditional Name: 3-amyl-1,7,9,11,13-pentahydroxy-8-keto-13-methyl-benzo[a]tetracene-2-carboxylic acid Formula: C29H26O8 MolecularWeight: 502.51194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26O8/c1-3-4-5-6-13-9-14-7-8-16-17(21(14)26(33)22(13)28(35)36)12-19-24(25(16)32)27(34)23-18(29(19,2)37)10-15(30)11-20(23)31/h7-12,30-33,37H,3-6H2,1-2H3,(H,35,36)