4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate

Systemtic Name: 4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate Openeye Name: 4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate CAS Name: 4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]-1-butanesulfonate IUPAC Name: 4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate Traditional Name: 4-[2-[(Z)-2-[(Z)-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate Formula: C28H34N2O4S2Se MolecularWeight: 605.67056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4S2Se/c1-6-21(16-27-29(7-2)23-14-19(3)20(4)15-25(23)35-27)17-28-30(12-8-9-13-36(31,32)33)24-18-22(34-5)10-11-26(24)37-28/h10-11,14-18H,6-9,12-13H2,1-5H3