strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid hydrate

Systemtic Name: strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid hydrate Openeye Name: strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-thiophene-2-carboxylic acid hydrate CAS Name: strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thiophenecarboxylic acid hydrate IUPAC Name: strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyanothiophene-2-carboxylic acid hydrate Traditional Name: strontium 5-[bis(carboxymethyl)amino]-3-(carboxymethyl)-4-cyano-2-thenoic acid hydrate Formula: C12H12N2O9SSr+2 MolecularWeight: 447.91668

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O.O.[Sr+2]

Isomeric SMILES

C(C1=C(SC(=C1C#N)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O.O.[Sr+2]

InChI

InChI=1S/C12H10N2O8S.H2O.Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1H2;/q;;+2