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

Systemtic Name: 13,13-dimethyl-1,7,9,11-tetrakis(oxidanyl)-8-oxidanylidene-3-pentyl-benzo[a]tetracene-2-carboxylic acid Openeye Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid CAS Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-2-benzo[a]tetracenecarboxylic acid IUPAC Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid Traditional Name: 1,7,9,11-tetrahydroxy-8-keto-13,13-dimethyl-3-pentyl-benzo[a]tetracene-2-carboxylic acid Formula: C30H28O7 MolecularWeight: 528.434708

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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)C)O)O)C(=O)O

Isomeric SMILES

C[14CH2]C[14CH2]C[14C]1=C([14C](=C2[14C](=C1)C=[14CH]C3=[14C](C4=[14C](C=[14C]32)C([14C]5=C[14C](=C[14C](=C5[14C]4=O)O)O)(C)C)O)O)[14C](=O)O

InChI

InChI=1S/C30H28O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h8-13,31-34H,4-7H2,1-3H3,(H,36,37)/i4+2,6+2,9+2,14+2,15+2,16+2,18+2,19+2,20+2,21+2,26+2,27+2,28+2,29+2