sodium 3-[(2E)-2-[(2Z)-2-[[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2E)-2-[(2Z)-2-[[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2E)-2-[(2Z)-2-[[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]methylene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2E)-2-[(2Z)-2-[[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2E)-2-[(2Z)-2-[[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2E)-2-[(Z)-3-[5,6-dimethyl-3-(3-sulfonatopropyl)-3a,4-dihydro-1,3-benzoselenazol-3-ium-2-yl]-2-ethyl-prop-2-enylidene]-5,6-dimethyl-1,3-benzoselenazol-3-yl]propane-1-sulfonate Formula: C29H37N2NaO6S2Se2 MolecularWeight: 754.65365

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2CC(=C(C=C2[Se]1)C)C)CCCS(=O)(=O)[O-])C=C3N(C4=C([Se]3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC/C(=C/C1=[N+](C2CC(=C(C=C2[Se]1)C)C)CCCS(=O)(=O)[O-])/C=C/3\N(C4=C([Se]3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C29H38N2O6S2Se2.Na/c1-6-23(17-28-30(9-7-11-38(32,33)34)24-13-19(2)21(4)15-26(24)40-28)18-29-31(10-8-12-39(35,36)37)25-14-20(3)22(5)16-27(25)41-29;/h13,15-18,25H,6-12,14H2,1-5H3,(H-,32,33,34,35,36,37);/q;+1/p-1