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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=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/c27-24(36-16-14-18-8-2-1-3-9-18)21(38-40(34,35)23-13-7-5-11-20(23)26(30)31)15-17-37-39(32,33)22-12-6-4-10-19(22)25(28)29/h1-13,21H,14-17H2