3-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: 3-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[(2Z)-2-[(E)-2-ethyl-3-(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C27H32N2O3S2Se MolecularWeight: 575.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)C)CC)C=C3N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)C)CC)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C27H32N2O3S2Se/c1-6-21(17-27-28(7-2)23-13-18(3)9-10-25(23)35-27)16-26-29(11-8-12-34(30,31)32)22-14-19(4)20(5)15-24(22)33-26/h9-10,13-17H,6-8,11-12H2,1-5H3