Molecule ID: 121232726

IUPAC Name: 2-carbamoyl-3,10,11,12-tetrahydroxy-6-methyltetracen-1-olate

Description: The molecule is a phenolate anion that is the conjugate base of 6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 6-methylpretetramide.

SMILES: Cc1c2cccc([O-])c2c(O)c2c(O)c3c(O)c(C(=N)O)c(O)cc3cc12

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

InChI: InChI=1S/C20H15NO6/c1-7-9-3-2-4-11(22)14(9)19(26)15-10(7)5-8-6-12(23)16(20(21)27)18(25)13(8)17(15)24/h2-6,22-26H,1H3,(H2,21,27)/p-1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 5.4