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2-(3-phenethyloxypropylsulfonyl)ethyl 4-nitrobenzoate

2-(3-phenethyloxypropylsulfonyl)ethyl 4-nitrobenzoate

Systemtic Name:2-(3-phenethyloxypropylsulfonyl)ethyl 4-nitrobenzoate
Openeye Name:2-(3-phenethyloxypropylsulfonyl)ethyl 4-nitrobenzoate
CAS Name:4-nitrobenzoic acid 2-(3-phenethyloxypropylsulfonyl)ethyl ester
IUPAC Name:2-(3-phenethyloxypropylsulfonyl)ethyl 4-nitrobenzoate
Traditional Name:4-nitrobenzoic acid 2-(3-phenethyloxypropylsulfonyl)ethyl ester
Formula: C20H23NO7S
MolecularWeight: 421.46412
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCS(=O)(=O)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCOCCCS(=O)(=O)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C20H23NO7S/c22-20(18-7-9-19(10-8-18)21(23)24)28-14-16-29(25,26)15-4-12-27-13-11-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2


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