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carbamimidoylazanium; hexaphen-1-yl hydrogen sulfate

carbamimidoylazanium; hexaphen-1-yl hydrogen sulfate

Systemtic Name:carbamimidoylazanium; hexaphen-1-yl hydrogen sulfate
Openeye Name:carbamimidoylammonium; hexaphen-1-yl hydrogen sulfate
CAS Name:carbamimidoylammonium; sulfuric acid 1-hexaphenyl ester
IUPAC Name:carbamimidoylazanium; hexaphen-1-yl hydrogen sulfate
Traditional Name:amidinoammonium; sulfuric acid hexaphen-1-yl ester
Formula: C27H22N3O4S+
MolecularWeight: 484.54628
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC5=C4C=C6C(=C5)C=CC=C6OS(=O)(=O)O.C(=N)([NH3+])N


Isomeric SMILES

C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C=CC5=C4C=C6C(=C5)C=CC=C6OS(=O)(=O)O.C(=N)([NH3+])N


InChI

InChI=1S/C26H16O4S.CH5N3/c27-31(28,29)30-26-7-3-6-18-12-19-8-9-20-13-21-10-16-4-1-2-5-17(16)11-22(21)14-23(20)24(19)15-25(18)26;2-1(3)4/h1-15H,(H,27,28,29);(H5,2,3,4)/p+1


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