4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate

Systemtic Name: 4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate Openeye Name: 4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate CAS Name: 4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-1-cyclohex-2-enylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-2-butanesulfonate IUPAC Name: 4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate Traditional Name: 4-[2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate Formula: C32H36N2O3S3 MolecularWeight: 592.83484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC4=[N+](C5=CC=CC=C5S4)CCC(C)S(=O)(=O)[O-])CC(C3)(C)C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=C/C(=C/C=C/C4=[N+](C5=CC=CC=C5S4)CCC(C)S(=O)(=O)[O-])/CC(C3)(C)C

InChI

InChI=1S/C32H36N2O3S3/c1-5-33-26-12-6-8-14-28(26)39-31(33)20-25-19-24(21-32(3,4)22-25)11-10-16-30-34(18-17-23(2)40(35,36)37)27-13-7-9-15-29(27)38-30/h6-16,19-20,23H,5,17-18,21-22H2,1-4H3