[2-[5-[bis(phenylmethylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[5-[bis(phenylmethylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxidanyl-ethyl] 4-nitrobenzoate Openeye Name: [2-[5-[bis(benzylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[5-[bis(phenylmethylthio)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] ester IUPAC Name: [2-[5-[bis(benzylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[5-[bis(benzylthio)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-ethyl] ester Formula: C29H31NO7S2 MolecularWeight: 569.68894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(OC(C(O1)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O)C

InChI

InChI=1S/C29H31NO7S2/c1-29(2)36-25(24(31)17-35-27(32)22-13-15-23(16-14-22)30(33)34)26(37-29)28(38-18-20-9-5-3-6-10-20)39-19-21-11-7-4-8-12-21/h3-16,24-26,28,31H,17-19H2,1-2H3