bis(benzotriazol-1-yl) (2S)-2-(phenylmethyl)butanedioate

Systemtic Name: bis(benzotriazol-1-yl) (2S)-2-(phenylmethyl)butanedioate Openeye Name: bis(benzotriazol-1-yl) (2S)-2-benzylbutanedioate CAS Name: (2S)-2-(phenylmethyl)butanedioic acid bis(1-benzotriazolyl) ester IUPAC Name: bis(benzotriazol-1-yl) (2S)-2-benzylbutanedioate Traditional Name: (2S)-2-benzylsuccinic acid bis(benzotriazol-1-yl) ester Formula: C23H18N6O4 MolecularWeight: 442.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)ON2C3=CC=CC=C3N=N2)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC(=O)ON2C3=CC=CC=C3N=N2)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H18N6O4/c30-22(32-28-20-12-6-4-10-18(20)24-26-28)15-17(14-16-8-2-1-3-9-16)23(31)33-29-21-13-7-5-11-19(21)25-27-29/h1-13,17H,14-15H2/t17-/m0/s1