Molecule ID: 451476

IUPAC Name: disodium;6-azaniumylidene-3-[bis(4-amino-3-sulfonatophenyl)methylidene]-5-methylcyclohexa-1,4-diene-1-sulfonate

Description: The molecule is an organic sodium salt that is the disodium salt of 2-amino-5-[(4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzene-1-sulfonic acid. It is used in the Van Gieson method in conjunction with picric acid to demonstrate collagen fibres red, and in Masson's trichrome to colour smooth muscle in contrast to collagen. It has a role as a histological dye. It contains an acid fuchsin(2-).

SMILES: CC1=CC(=C(c2ccc(N)c(S(=O)(=O)[O-])c2)c2ccc(N)c(S(=O)(=O)[O-])c2)C=C(S(=O)(=O)O)C1=N.[Na+].[Na+]

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

InChI: InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 274.0 Ų
- LogP: nan