azane; 3-[6-ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: azane; 3-[6-ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: ammonia; 3-[6-ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate CAS Name: ammonia; 3-[6-ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethyl-2-benzimidazolylidene)prop-1-enyl]-3-ethyl-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: azane; 3-[6-ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate Traditional Name: ammonia; 3-[6-carbethoxy-2-[(E,3E)-3-(5-carbethoxy-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Formula: C32H43N5O7S MolecularWeight: 641.77812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=CC=CC3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(=O)OCC)CC)CC.N

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)C(=O)OCC)N(/C1=C/C=C/C3=[N+](C4=C(N3CCCS(=O)(=O)[O-])C=C(C=C4)C(=O)OCC)CC)CC.N

InChI

InChI=1S/C32H40N4O7S.H3N/c1-6-33-25-17-15-23(31(37)42-9-4)21-27(25)35(8-3)29(33)13-11-14-30-34(7-2)26-18-16-24(32(38)43-10-5)22-28(26)36(30)19-12-20-44(39,40)41;/h11,13-18,21-22H,6-10,12,19-20H2,1-5H3;1H3