SODIUM 2-[(1E)-2-[(3E)-2-CHLORO-3-{2-[(2E)-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]ETHYLIDENE}CYCLOHEX-1-EN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)-3H-INDOL-1-IUM | CAS 115970-66-6

Catalog Id:
MM115970666

IUPAC:
SODIUM4-[(2E)-2-[(2E)-2-[2-CHLORO-3-[(E)-2-[3,3-DIMETHYL-1-(4-SULFONATOBUTYL)INDOL-1-IUM-2-YL]VINYL]CYCLOHEX-2-EN-1-YLIDENE]ETHYLIDENE]-3,3-DIMETHYL-INDOLIN-1-YL]BUTANE-1-SULFONATE

CAS Number:
115970-66-6

Molecular Weight:
749.35

Formula:
C38H46ClN2NaO6S2

SMILES:
[Na+].CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS([O-])(=O)=O)C4=CC=CC=C4C3(C)C)=C2Cl)N(CCCCS([O-])(=O)=O)C2=CC=CC=C12

Preferred IUPAC Name:
SODIUM 2-[(1E)-2-[(3E)-2-CHLORO-3-{2-[(2E)-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)-2,3-DIHYDRO-1H-INDOL-2-YLIDENE]ETHYLIDENE}CYCLOHEX-1-EN-1-YL]ETHENYL]-3,3-DIMETHYL-1-(4-SULFONATOBUTYL)-3H-INDOL-1-IUM

InChIKey:
InChIKey=QQIQAVJARACLHE-UHFFFAOYSA-M

Categories:
Aliphatic Cyclic Structures, Aliphatic Heterocycles, Aromatic Heterocycles, Heterocyclic Compounds, Amines, Tertiary Amines, Aromatic Cyclic Structures, Anilines, Indoles