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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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