4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]-1-butanesulfonic acid IUPAC Name: 4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2E)-6-methyl-2-[(2E,4E)-3-methyl-5-[6-methyl-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonic acid Formula: C30H37N2O6S4+ MolecularWeight: 649.88458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC=C(C)C=CC3=[N+](C4=C(S3)C=C(C=C4)C)CCCCS(=O)(=O)O)S2)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C\C=C(/C)\C=C\C3=[N+](C4=C(S3)C=C(C=C4)C)CCCCS(=O)(=O)O)/S2)CCCCS(=O)(=O)O

InChI

InChI=1S/C30H36N2O6S4/c1-22(10-14-29-31(16-4-6-18-41(33,34)35)25-12-8-23(2)20-27(25)39-29)11-15-30-32(17-5-7-19-42(36,37)38)26-13-9-24(3)21-28(26)40-30/h8-15,20-21H,4-7,16-19H2,1-3H3,(H-,33,34,35,36,37,38)/p+1