3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanyl-prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanyl-prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanyl-prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methyl-2-benzo[e][1,3]benzothiazol-1-iumyl)-2-(methylthio)prop-2-enylidene]-1,3-benzoselenazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylsulfanylprop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-6-methoxy-5-methyl-2-[(Z)-3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-(methylthio)prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonic acid Formula: C28H29N2O4S3Se+ MolecularWeight: 632.69586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)[Se]C(=CC(=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)SC)N2CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1OC)[Se]/C(=C\C(=C\C3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)\SC)/N2CCCS(=O)(=O)O

InChI

InChI=1S/C28H28N2O4S3Se/c1-18-14-22-25(17-23(18)34-3)38-27(30(22)12-7-13-37(31,32)33)16-20(35-4)15-26-29(2)28-21-9-6-5-8-19(21)10-11-24(28)36-26/h5-6,8-11,14-17H,7,12-13H2,1-4H3/p+1