3-[2-[(Z,3Z)-3-(3-ethylbenzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]benzothiazol-3-yl]propane-1-sulfonate dihydrate
Molecular Formula:
C
23
H
28
N
2
O
6
S
3
InChI:
InChI=1/C23H24N2O4S3.2H2O/c1-3-24-18-9-4-6-11-20(18)30-22(24)15-17(29-2)16-23-25(13-8-14-32(26,27)28)19-10-5-7-12-21(19)31-23;;/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3;2*1H2
InChIKey:
InChIKey=QUFGVHNSEYULSN-UHFFFAOYAJ
SMILES:
CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])OC.O.O
Names:
3-[2-[(Z,3Z)-3-(3-ethylbenzothiazol-2-ylidene)-2-methoxy-prop-1-enyl]benzothiazol-3-yl]propane-1-sulfonate dihydrate
Registries:
PubChem CID 5717931
PubChem ID 3297791
