Molecule ID: 25229581

IUPAC Name: [9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;bromide

Description: The molecule is an organic bromide salt and a xanthene dye. It has a role as a fluorochrome. It contains a rhod-2(1+).

SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(-c2c3ccc(N(C)C)cc3[o+]c3cc(N(C)C)ccc23)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O.[Br-]

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

InChI: InChI=1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52;/h10-17,20-23H,18-19,24-31H2,1-9H3;1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 251.0 Ų
- LogP: nan