4-[2-azanyl-5-[2,3-bis(oxidanyl)propylamino]phenyl]benzoic acid

Systemtic Name: 4-[2-azanyl-5-[2,3-bis(oxidanyl)propylamino]phenyl]benzoic acid Openeye Name: 4-[2-amino-5-(2,3-dihydroxypropylamino)phenyl]benzoic acid CAS Name: 4-[2-amino-5-(2,3-dihydroxypropylamino)phenyl]benzoic acid IUPAC Name: 4-[2-amino-5-(2,3-dihydroxypropylamino)phenyl]benzoic acid Traditional Name: 4-[2-amino-5-(glycerylamino)phenyl]benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)NCC(CO)O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)NCC(CO)O)N)C(=O)O

InChI

InChI=1S/C16H18N2O4/c17-15-6-5-12(18-8-13(20)9-19)7-14(15)10-1-3-11(4-2-10)16(21)22/h1-7,13,18-20H,8-9,17H2,(H,21,22)