3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-[(Z)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C24H27N2O6S4+ MolecularWeight: 567.74098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)O

Isomeric SMILES

C/C(=C/C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)/C=C\3/N(C4=CC=CC=C4S3)CCCS(=O)(=O)O

InChI

InChI=1S/C24H26N2O6S4/c1-18(16-23-25(12-6-14-35(27,28)29)19-8-2-4-10-21(19)33-23)17-24-26(13-7-15-36(30,31)32)20-9-3-5-11-22(20)34-24/h2-5,8-11,16-17H,6-7,12-15H2,1H3,(H-,27,28,29,30,31,32)/p+1