3-[5-chloranyl-2-[(Z)-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5-chloranyl-2-[(Z)-(5-chloranyl-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[5-chloro-2-[(Z)-(5-chloro-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[5-chloro-2-[(Z)-(5-chloro-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]-1-propanesulfonic acid IUPAC Name: 3-[5-chloro-2-[(Z)-(5-chloro-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[5-chloro-2-[(Z)-(5-chloro-3H-1,3-benzothiazol-2-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium-4-yl]propane-1-sulfonic acid Formula: C20H19Cl2N2O3S3+ MolecularWeight: 502.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C(=C(C=C2)Cl)CCCS(=O)(=O)O)C=C3NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC[N+]1=C(SC2=C1C(=C(C=C2)Cl)CCCS(=O)(=O)O)/C=C\3/NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C20H18Cl2N2O3S3/c1-2-24-19(11-18-23-15-10-12(21)5-7-16(15)28-18)29-17-8-6-14(22)13(20(17)24)4-3-9-30(25,26)27/h5-8,10-11H,2-4,9H2,1H3,(H,25,26,27)/p+1