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calcium 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid

calcium 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name:calcium 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid
Openeye Name:calcium 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CAS Name:calcium 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
IUPAC Name:calcium 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
Traditional Name:calcium 2-amino-3-(3,4-dihydroxyphenyl)propionic acid
Formula: C9H11CaNO4+2
MolecularWeight: 237.26594
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.[Ca+2]


Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)N)O)O.[Ca+2]


InChI

InChI=1S/C9H11NO4.Ca/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);/q;+2


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