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carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]phenyl]carbonyl-bis(sulfanyl)azanium

carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]phenyl]carbonyl-bis(sulfanyl)azanium

Systemtic Name:carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]phenyl]carbonyl-bis(sulfanyl)azanium
Openeye Name:carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]benzoyl]-bis(sulfanyl)ammonium
CAS Name:carboxymethyl-[[2-[2-[(carboxymethylamino)-oxomethyl]phenyl]phenyl]-oxomethyl]-dimercaptoammonium
IUPAC Name:carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]benzoyl]-bis(sulfanyl)azanium
Traditional Name:carboxymethyl-[2-[2-(carboxymethylcarbamoyl)phenyl]benzoyl]-dimercapto-ammonium
Formula: C18H17N2O6S2+
MolecularWeight: 421.46738
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[N+](CC(=O)O)(S)S)C(=O)NCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[N+](CC(=O)O)(S)S)C(=O)NCC(=O)O


InChI

InChI=1S/C18H16N2O6S2/c21-15(22)9-19-17(25)13-7-3-1-5-11(13)12-6-2-4-8-14(12)18(26)20(27,28)10-16(23)24/h1-8,27-28H,9-10H2,(H2-,19,21,22,23,24,25)/p+1


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