Merocyanine 540

Molecular Formula: C₂₆H₃₂N₃NaO₆S₂

InChI: InChI=1/C26H33N3O6S2.Na/c1-3-5-16-28-24(30)20(25(31)29(26(28)36)17-6-4-2)12-7-10-15-23-27(18-11-19-37(32,33)34)21-13-8-9-14-22(21)35-23;/h7-10,12-15H,3-6,11,16-19H2,1-2H3,(H,32,33,34);/q;+1/p-1/b10-7-,23-15-;/fC26H32N3O6S2.Na/q-1;m

InChIKey: InChIKey=OSQUFVVXNRMSHL-DTSJVTFSDE
SMILES: CCCCN1C(=O)C(=CC=CC=C2N(C3=CC=CC=C3O2)CCCS(=O)(=O)[O-])C(=O)N(C1=S)CCCC.[Na+]

Names:
    MC 540
    Merocyanine 540
    NK 2272
    sodium 3-[(2Z)-2-[(Z)-4-(1,3-dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]benzooxazol-3-yl]propane-1-sulfonate
    3(2H)-Benzoxazolepropanesulfonic acid, 2-(4-(1,3-dibutyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)-2-butenylidene)-, sodium salt
    3(2H)-BENZOXAZOLEPROPANESULFONIC ACID, 2-(4-(1,3-DIBUTYLTETRAHYDRO-4,6-DIOXO-2-T
    62796-23-0

Registries:
    PubChem CID 6434703
    PubChem ID 184413