Molecule ID: 145944439

IUPAC Name: 2-acetyl-4a,10,11,12a-tetrahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracen-1-olate

Description: The molecule is an enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612. It is a conjugate base of a TAN-1612.

SMILES: COc1cc([O-])c2c(O)c3c(cc2c1)CC1(O)CC(=O)C(C(C)=O)=C(O)C1(O)C3=O

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

InChI: InChI=1S/C21H18O9/c1-8(22)14-13(24)7-20(28)6-10-3-9-4-11(30-2)5-12(23)15(9)17(25)16(10)19(27)21(20,29)18(14)26/h3-5,23,25-26,28-29H,6-7H2,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: 1.1