Molecule ID: 25164072

IUPAC Name: 4-(6,20-diethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)benzene-1,3-dicarboxylic acid

Description: The molecule is the meta-isomer of ATTO 565 cation. It has a role as a fluorochrome. It is a dicarboxylic acid, a xanthene dye and an organic heteropentacyclic compound.

SMILES: CCN1CCCc2cc3c(-c4ccc(C(=O)O)cc4C(=O)O)c4cc5c(cc4[o+]c3cc21)N(CC)CCC5

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

InChI: InChI=1S/C31H30N2O5/c1-3-32-11-5-7-18-13-23-27(16-25(18)32)38-28-17-26-19(8-6-12-33(26)4-2)14-24(28)29(23)21-10-9-20(30(34)35)15-22(21)31(36)37/h9-10,13-17H,3-8,11-12H2,1-2H3,(H-,34,35,36,37)/p+1

Molecular Properties:
- Polar Surface Area: 90.1 Ų
- LogP: 3.7