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

Systemtic Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-(1-benzotriazolyl)-2-hydroxypropoxy]benzoate IUPAC Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-(benzotriazol-1-yl)-2-hydroxy-propoxy]benzoate Formula: C16H14N3O4- MolecularWeight: 312.30006

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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)/p-1/t12-/m1/s1