| PDB CCD ID: | G4A |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C19 H19 N2 O4 S2 |
| InChI: | InChI=1S/C19H18N2O4S2/c1-20-14-7-2-4-9-16(14)25-18(20)13-19-21(11-6-12-27(22,23)24)15-8-3-5-10-17(15)26-19/h2-5,7-10,13H,6,11-12H2,1H3/p+1 |
| InChIKey: | AHPYSIGATYXERL-UHFFFAOYSA-O |
| SMILES: | CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCCS(=O)(=O)O; c4c3c(O\C(=C/c2sc1ccccc1[n+]2CCCS(O)(=O)=O)N3C)ccc4; CN1\C(Oc2ccccc12)=C\c3sc4ccccc4[n+]3CCC[S](O)(=O)=O; CN1c2ccccc2OC1=Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)O; CN1C(Oc2ccccc12)=Cc3sc4ccccc4[n+]3CCC[S](O)(=O)=O |
| Name: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium |
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