Molecule ID: 44140612

IUPAC Name: diethyl-[5-(ethylamino)benzo[a]phenoxazin-9-ylidene]azanium;sulfate

Description: The molecule is the sulfate salt of ethyl nile blue. It has a role as a fluorochrome. It contains an ethyl nile blue(1+).

SMILES: CCN=c1cc2oc3cc(N(CC)CC)ccc3nc-2c2ccccc12.CCN=c1cc2oc3cc(N(CC)CC)ccc3nc-2c2ccccc12.O=S(=O)(O)O

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

InChI: InChI=1S/2C22H23N3O.H2O4S/c2*1-4-23-19-14-21-22(17-10-8-7-9-16(17)19)24-18-12-11-15(13-20(18)26-21)25(5-2)6-3;1-5(2,3)4/h2*7-14H,4-6H2,1-3H3;(H2,1,2,3,4)

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: nan