4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]benzoic acid

Systemtic Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]benzoic acid Openeye Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoic acid CAS Name: 4-[(2R)-3-(1-benzotriazolyl)-2-hydroxypropoxy]benzoic acid IUPAC Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoic acid Traditional Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoic acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(COC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C[C@H](COC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C16H15N3O4/c20-12(9-19-15-4-2-1-3-14(15)17-18-19)10-23-13-7-5-11(6-8-13)16(21)22/h1-8,12,20H,9-10H2,(H,21,22)/t12-/m1/s1