(2Z)-2-[[(7E)-7-[[5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazole

Systemtic Name: (2Z)-2-[[(7E)-7-[[5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazole Openeye Name: (2Z)-3-(2-methoxyethyl)-2-[[(7E)-7-[[3-(2-methoxyethyl)-5,6-bis(vinylsulfanyl)-1,3-benzothiazol-3-ium-2-yl]methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-5,6-bis(vinylsulfanyl)-1,3-benzothiazole CAS Name: (2Z)-2-[[(7E)-7-[[5,6-bis(ethenylthio)-3-(2-methoxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-5,6-bis(ethenylthio)-3-(2-methoxyethyl)-1,3-benzothiazole IUPAC Name: (2Z)-2-[[(7E)-7-[[5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylidene]-5,6-bis(ethenylsulfanyl)-3-(2-methoxyethyl)-1,3-benzothiazole Traditional Name: (2Z)-3-(2-methoxyethyl)-2-[[(7E)-7-[[3-(2-methoxyethyl)-5,6-bis(vinylthio)-1,3-benzothiazol-3-ium-2-yl]methylene]-4,4a,5,6-tetrahydro-3H-naphthalen-2-yl]methylene]-5,6-bis(vinylthio)-1,3-benzothiazole Formula: C40H43N2O2S6+ MolecularWeight: 776.17162

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC(=C(C=C2SC1=CC3=CC4=CC(=CC5=[N+](C6=CC(=C(C=C6S5)SC=C)SC=C)CCOC)CCC4CC3)SC=C)SC=C

Isomeric SMILES

COCCN\1C2=CC(=C(C=C2S/C1=C\C3=CC4=C/C(=C/C5=[N+](C6=CC(=C(C=C6S5)SC=C)SC=C)CCOC)/CCC4CC3)SC=C)SC=C

InChI

InChI=1S/C40H43N2O2S6/c1-7-45-35-23-31-33(25-37(35)47-9-3)49-39(41(31)15-17-43-5)21-27-11-13-29-14-12-28(20-30(29)19-27)22-40-42(16-18-44-6)32-24-36(46-8-2)38(48-10-4)26-34(32)50-40/h7-10,19-26,29H,1-4,11-18H2,5-6H3/q+1