3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(3Z)-2-cyclopropyl-3-(3-ethyl-5-phenyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C32H32N2O4S3 MolecularWeight: 604.80248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)SC1=CC(=CC4=[N+](C5=C(S4)C=CC(=C5)OC)CCCS(=O)(=O)[O-])C6CC6

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)S/C1=C\C(=CC4=[N+](C5=C(S4)C=CC(=C5)OC)CCCS(=O)(=O)[O-])C6CC6

InChI

InChI=1S/C32H32N2O4S3/c1-3-33-27-18-24(22-8-5-4-6-9-22)12-14-29(27)39-31(33)19-25(23-10-11-23)20-32-34(16-7-17-41(35,36)37)28-21-26(38-2)13-15-30(28)40-32/h4-6,8-9,12-15,18-21,23H,3,7,10-11,16-17H2,1-2H3