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

Systemtic Name: (phenylmethyl) 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: benzyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid benzyl ester Formula: C25H24N2O12S2 MolecularWeight: 608.59426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=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)COC(=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/C25H24N2O12S2/c28-25(37-18-19-10-2-1-3-11-19)22(39-41(35,36)24-16-7-5-13-21(24)27(31)32)14-8-9-17-38-40(33,34)23-15-6-4-12-20(23)26(29)30/h1-7,10-13,15-16,22H,8-9,14,17-18H2