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2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate

2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate

Systemtic Name:2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate
Openeye Name:2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate
CAS Name:2-[[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoate
IUPAC Name:2-[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanylbenzoate
Traditional Name:2-[[(1R)-2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]thio]benzoate
Formula: C18H18NO7S-
MolecularWeight: 392.40302
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]


Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H](C[N+](=O)[O-])SC2=CC=CC=C2C(=O)[O-]


InChI

InChI=1S/C18H19NO7S/c1-24-13-8-11(9-14(25-2)17(13)26-3)16(10-19(22)23)27-15-7-5-4-6-12(15)18(20)21/h4-9,16H,10H2,1-3H3,(H,20,21)/p-1/t16-/m0/s1


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