4-[(2Z)-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate

Systemtic Name: 4-[(2Z)-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate Openeye Name: 4-[(2Z)-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate CAS Name: 4-[(2Z)-2-[(2Z)-2-[(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]-1-butanesulfonate IUPAC Name: 4-[(2Z)-2-[(2Z)-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate Traditional Name: 4-[(2Z)-2-[(Z)-2-ethyl-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]butane-1-sulfonate Formula: C31H34N2O3S2Se MolecularWeight: 625.70326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)C=C4N(C5=C([Se]4)C=C(C(=C5)C)C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C/C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CC)/C=C\4/N(C5=C([Se]4)C=C(C(=C5)C)C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C31H34N2O3S2Se/c1-5-23(19-29-32(6-2)31-25-12-8-7-11-24(25)13-14-27(31)37-29)20-30-33(15-9-10-16-38(34,35)36)26-17-21(3)22(4)18-28(26)39-30/h7-8,11-14,17-20H,5-6,9-10,15-16H2,1-4H3