(2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(phenylmethyl)indol-1-ium-2-yl]ethenyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indole-5-sulfonate

Systemtic Name: (2E)-1-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]oxy-6-oxidanylidene-hexyl]-2-[(2E)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(phenylmethyl)indol-1-ium-2-yl]ethenyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indole-5-sulfonate Openeye Name: (2E)-2-[(2E)-2-[3-[(E)-2-[1-benzyl-5-(dimethylsulfamoyl)-3,3-dimethyl-indol-1-ium-2-yl]vinyl]-2-phenylsulfanyl-cyclohex-2-en-1-ylidene]ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxo-hexyl]-3,3-dimethyl-indoline-5-sulfonate CAS Name: (2E)-2-[(2E)-2-[3-[(E)-2-[5-(dimethylsulfamoyl)-3,3-dimethyl-1-(phenylmethyl)-2-indol-1-iumyl]ethenyl]-2-(phenylthio)-1-cyclohex-2-enylidene]ethylidene]-1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3,3-dimethyl-5-indolesulfonate IUPAC Name: (2E)-2-[(2E)-2-[3-[(E)-2-[1-benzyl-5-(dimethylsulfamoyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethylindole-5-sulfonate Traditional Name: (2E)-2-[(2E)-2-[3-[(E)-2-[1-benzyl-5-(dimethylsulfamoyl)-3,3-dimethyl-indol-1-ium-2-yl]vinyl]-2-(phenylthio)cyclohex-2-en-1-ylidene]ethylidene]-1-(6-keto-6-succinimidooxy-hexyl)-3,3-dimethyl-indoline-5-sulfonate Formula: C55H60N4O9S3 MolecularWeight: 1017.2813

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)N(C)C)[N+](=C1C=CC3=C(C(=CC=C4C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)SC7=CC=CC=C7)CC8=CC=CC=C8)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)N(C)C)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCCC(=O)ON6C(=O)CCC6=O)C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)SC7=CC=CC=C7)CC8=CC=CC=C8)C

InChI

InChI=1S/C55H60N4O9S3/c1-54(2)45-36-43(71(65,66)67)27-29-46(45)57(34-15-9-14-23-52(62)68-59-50(60)32-33-51(59)61)48(54)30-24-39-19-16-20-40(53(39)69-41-21-12-8-13-22-41)25-31-49-55(3,4)44-35-42(70(63,64)56(5)6)26-28-47(44)58(49)37-38-17-10-7-11-18-38/h7-8,10-13,17-18,21-22,24-31,35-36H,9,14-16,19-20,23,32-34,37H2,1-6H3