(2E)-1-(3-carbamimidoylsulfanylpropyl)-2-[(2E,4E)-5-[1-(3-carbamimidoylsulfanylpropyl)-3,3-dimethyl-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indole-5-sulfonic acid

Systemtic Name: (2E)-1-(3-carbamimidoylsulfanylpropyl)-2-[(2E,4E)-5-[1-(3-carbamimidoylsulfanylpropyl)-3,3-dimethyl-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indole-5-sulfonic acid Openeye Name: (2E)-1-(3-carbamimidoylsulfanylpropyl)-2-[(2E,4E)-5-[1-(3-carbamimidoylsulfanylpropyl)-3,3-dimethyl-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2E)-1-[3-(carbamimidoylthio)propyl]-2-[(2E,4E)-5-[1-[3-(carbamimidoylthio)propyl]-3,3-dimethyl-2-indol-1-iumyl]penta-2,4-dienylidene]-3,3-dimethyl-5-indolesulfonic acid IUPAC Name: (2E)-1-(3-carbamimidoylsulfanylpropyl)-2-[(2E,4E)-5-[1-(3-carbamimidoylsulfanylpropyl)-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid Traditional Name: (2E)-1-[3-(amidinothio)propyl]-2-[(2E,4E)-5-[1-[3-(amidinothio)propyl]-3,3-dimethyl-indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonic acid Formula: C33H43N6O3S3+ MolecularWeight: 667.92792

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=C(N3CCCSC(=N)N)C=CC(=C4)S(=O)(=O)O)(C)C)CCCSC(=N)N)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCSC(=N)N)C=CC(=C4)S(=O)(=O)O)(C)C)CCCSC(=N)N)C

InChI

InChI=1S/C33H42N6O3S3/c1-32(2)24-12-8-9-13-26(24)38(18-10-20-43-30(34)35)28(32)14-6-5-7-15-29-33(3,4)25-22-23(45(40,41)42)16-17-27(25)39(29)19-11-21-44-31(36)37/h5-9,12-17,22H,10-11,18-21H2,1-4H3,(H6-,34,35,36,37,40,41,42)/p+1