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4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indol-1-yl]butane-1-sulfonate; triethylazanium

4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indol-1-yl]butane-1-sulfonate; triethylazanium

Systemtic Name:4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indol-1-yl]butane-1-sulfonate; triethylazanium
Openeye Name:4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate; triethylammonium
CAS Name:4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylthio)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)-2-indol-1-iumyl]ethenyl]-1-cyclohex-2-enylidene]ethylidene]-3,3-dimethyl-1-indolyl]-1-butanesulfonate; triethylammonium
IUPAC Name:4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate; triethylazanium
Traditional Name:4-[(2Z)-2-[(2E)-2-[2-(1,3-benzoxazol-2-ylthio)-3-[(E)-2-[3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]vinyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonate; triethylammonium
Formula: C51H66N4O7S3
MolecularWeight: 943.28734
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)CCC3)SC6=NC7=CC=CC=C7O6)CCCCS(=O)(=O)[O-])C


Isomeric SMILES

CC[NH+](CC)CC.CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=CC=CC=C5N4CCCCS(=O)(=O)[O-])(C)C)/CCC3)SC6=NC7=CC=CC=C7O6)CCCCS(=O)(=O)[O-])C


InChI

InChI=1S/C45H51N3O7S3.C6H15N/c1-44(2)34-18-5-8-21-37(34)47(28-11-13-30-57(49,50)51)40(44)26-24-32-16-15-17-33(42(32)56-43-46-36-20-7-10-23-39(36)55-43)25-27-41-45(3,4)35-19-6-9-22-38(35)48(41)29-12-14-31-58(52,53)54;1-4-7(5-2)6-3/h5-10,18-27H,11-17,28-31H2,1-4H3,(H-,49,50,51,52,53,54);4-6H2,1-3H3


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