Molecule ID: 145944472

IUPAC Name: 7-(6,8-dimethoxy-2-methyl-5-oxido-4-oxobenzo[g]chromen-10-yl)-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-5-olate

Description: The molecule is a phenolate anion that is the conjugate base of aurasperone A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5'. It is the major microspecies at pH 7.3. It is a conjugate base of an aurasperone A.

SMILES: COc1cc(OC)c2c([O-])c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c([O-])c4c3OC)c2c1

SELFIES: [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][O-1][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=C][Branch2][Ring2][Branch1][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][O-1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][O][C][C][Ring2][Ring2][C][=C][Ring2][Ring2][Branch2]

InChI: InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3/p-2

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: 6.5