Molecule ID: 135903092

IUPAC Name: trisodium;(2E)-2-[(E)-3-[7-[bis(3-sulfonatopropyl)azaniumylidene]-2-tert-butylchromen-4-yl]prop-2-enylidene]-1-(3-carboxypropyl)-3-methyl-3-(3-sulfonatopropyl)indole-5-sulfonate

Description: The molecule is an organic trisodium salt having 2-(3-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}prop-2-en-1-ylidene)-1-(3-carboxypropyl)-3-methyl-3-(3-sulfonatopropyl)indoline-5-sulfonate as the counterion. It has a role as a fluorochrome. It contains a DY-634(3-).

SMILES: CC(C)(C)c1cc(C=CC=C2N(CCCC(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)CCCS(=O)(=O)[O-])c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)O)cc2[o+]1.[Na+].[Na+].[Na+]

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

InChI: InChI=1S/C38H50N2O15S4.3Na/c1-37(2,3)35-24-27(30-15-13-28(25-33(30)55-35)39(18-8-22-57(46,47)48)19-9-23-58(49,50)51)10-5-11-34-38(4,17-7-21-56(43,44)45)31-26-29(59(52,53)54)14-16-32(31)40(34)20-6-12-36(41)42;;;/h5,10-11,13-16,24-26H,6-9,12,17-23H2,1-4H3,(H4-,41,42,43,44,45,46,47,48,49,50,51,52,53,54);;;/q;3*+1/p-3

Molecular Properties:
- Polar Surface Area: 315.0 Ų
- LogP: nan