1-phenylethyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate

Systemtic Name: 1-phenylethyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Openeye Name: 1-phenylethyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate CAS Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Traditional Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butyric acid 1-phenylethyl ester Formula: C24H22N2O12S2 MolecularWeight: 594.56768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O12S2/c1-17(18-9-3-2-4-10-18)37-24(27)21(38-40(34,35)23-14-8-6-12-20(23)26(30)31)15-16-36-39(32,33)22-13-7-5-11-19(22)25(28)29/h2-14,17,21H,15-16H2,1H3