3-[(2Z)-5-methoxy-2-[(2E)-2-[[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; pyridin-1-ium

Systemtic Name: 3-[(2Z)-5-methoxy-2-[(2E)-2-[[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; pyridin-1-ium Openeye Name: 3-[(2Z)-5-methoxy-2-[(2E)-2-[[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; pyridin-1-ium CAS Name: 3-[(2Z)-5-methoxy-2-[(2E)-2-[[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate; pyridin-1-ium IUPAC Name: 3-[(2Z)-5-methoxy-2-[(2E)-2-[[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate; pyridin-1-ium Traditional Name: 3-[(2Z)-2-[(E)-2-ethyl-3-[5-methoxy-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]propane-1-sulfonate; pyridin-1-ium Formula: C32H37N3O8S4 MolecularWeight: 719.91148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)OC)CCCS(=O)(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C(S3)C=CC(=C4)OC)CCCS(=O)(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C27H32N2O8S4.C5H5N/c1-4-19(15-26-28(11-5-13-40(30,31)32)22-17-20(36-2)7-9-24(22)38-26)16-27-29(12-6-14-41(33,34)35)23-18-21(37-3)8-10-25(23)39-27;1-2-4-6-5-3-1/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35);1-5H