Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl(phenylmethyl)amino)phenyl)(5-hydroxy-2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-, hydroxide, inner salt, calcium salt (2:1) (9CI)

化合物标识与属性

CAS

3374-30-9

PubChem CID

49875666

SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=CC(=C(C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O.CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=CC(=C(C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Ca+2]

Canonical SMILES

CCN(Cc1ccccc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3ccccc3)C=C2)c2cc(O)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.CCN(Cc1ccccc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3ccccc3)C=C2)c2cc(O)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Ca+2]