2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]but-3-ynoic acid hydrochloride

Systemtic Name: 2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]but-3-ynoic acid hydrochloride Openeye Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]but-3-ynoic acid hydrochloride CAS Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3-butynoic acid hydrochloride IUPAC Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]but-3-ynoic acid hydrochloride Traditional Name: 2-amino-2-protocatechuyl-but-3-ynoic acid hydrochloride Formula: C11H12ClNO4 MolecularWeight: 257.67028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Cl

Isomeric SMILES

C#CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.Cl

InChI

InChI=1S/C11H11NO4.ClH/c1-2-11(12,10(15)16)6-7-3-4-8(13)9(14)5-7;/h1,3-5,13-14H,6,12H2,(H,15,16);1H