2-[(2E)-5-bromanyl-2-[[(3Z)-3-[[5-bromanyl-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[(2E)-5-bromanyl-2-[[(3Z)-3-[[5-bromanyl-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-5,5-dimethyl-cyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[(2E)-5-bromo-2-[[(3Z)-3-[[5-bromo-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[(2E)-5-bromo-2-[[(3Z)-3-[[5-bromo-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-5,5-dimethyl-1-cyclohexenyl]methylidene]-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[(2E)-5-bromo-2-[[(3Z)-3-[[5-bromo-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-5,5-dimethylcyclohexen-1-yl]methylidene]-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[(2E)-5-bromo-2-[[(3Z)-3-[[5-bromo-3-(carboxymethyl)-1,3-benzothiazol-3-ium-2-yl]methylene]-5,5-dimethyl-cyclohexen-1-yl]methylene]-1,3-benzothiazol-3-yl]acetic acid Formula: C28H25Br2N2O4S2+ MolecularWeight: 677.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=CC2=[N+](C3=C(S2)C=CC(=C3)Br)CC(=O)O)C1)C=C4N(C5=C(S4)C=CC(=C5)Br)CC(=O)O)C

Isomeric SMILES

CC1(CC(=C/C(=C\C2=[N+](C3=C(S2)C=CC(=C3)Br)CC(=O)O)/C1)/C=C/4\N(C5=C(S4)C=CC(=C5)Br)CC(=O)O)C

InChI

InChI=1S/C28H24Br2N2O4S2/c1-28(2)12-16(8-24-31(14-26(33)34)20-10-18(29)3-5-22(20)37-24)7-17(13-28)9-25-32(15-27(35)36)21-11-19(30)4-6-23(21)38-25/h3-11H,12-15H2,1-2H3,(H-,33,34,35,36)/p+1