phenethyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate

Systemtic Name: phenethyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: phenethyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid phenethyl ester IUPAC Name: phenethyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid phenethyl ester Formula: C26H26N2O12S2 MolecularWeight: 622.62084

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N2O12S2/c29-26(38-19-17-20-10-2-1-3-11-20)23(40-42(36,37)25-16-7-5-13-22(25)28(32)33)14-8-9-18-39-41(34,35)24-15-6-4-12-21(24)27(30)31/h1-7,10-13,15-16,23H,8-9,14,17-19H2