[2,3,4-tris(oxidanyl)-5,5-bis(phenylmethylsulfanyl)pentyl] 4-nitrobenzoate

Systemtic Name: [2,3,4-tris(oxidanyl)-5,5-bis(phenylmethylsulfanyl)pentyl] 4-nitrobenzoate Openeye Name: [5,5-bis(benzylsulfanyl)-2,3,4-trihydroxy-pentyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,3,4-trihydroxy-5,5-bis(phenylmethylthio)pentyl] ester IUPAC Name: [5,5-bis(benzylsulfanyl)-2,3,4-trihydroxypentyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5,5-bis(benzylthio)-2,3,4-trihydroxy-pentyl] ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C(C(C(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)O)O)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC(C(C(C(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O)O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO7S2/c28-22(15-34-25(31)20-11-13-21(14-12-20)27(32)33)23(29)24(30)26(35-16-18-7-3-1-4-8-18)36-17-19-9-5-2-6-10-19/h1-14,22-24,26,28-30H,15-17H2