Molecule ID: 25164068

IUPAC Name: 4-(6,20-diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)benzene-1,3-dicarboxylic acid

Description: The molecule is the meta-isomer of ATTO 590 cation. It has a role as a fluorochrome. It is a dicarboxylic acid, an organic heteropentacyclic compound, a xanthene dye and an organic cation.

SMILES: CCN1c2cc3[o+]c4cc5c(cc4c(-c4ccc(C(=O)O)cc4C(=O)O)c3cc2C(C)=CC1(C)C)C(C)=CC(C)(C)N5CC

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

InChI: InChI=1S/C37H38N2O5/c1-9-38-29-16-31-27(14-24(29)20(3)18-36(38,5)6)33(23-12-11-22(34(40)41)13-26(23)35(42)43)28-15-25-21(4)19-37(7,8)39(10-2)30(25)17-32(28)44-31/h11-19H,9-10H2,1-8H3,(H-,40,41,42,43)/p+1

Molecular Properties:
- Polar Surface Area: 90.1 Ų
- LogP: 4.9