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3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid

3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name:3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid
Openeye Name:3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid
CAS Name:3-[3-(2-chloroethylsulfonyl)propylamino]-1-cyclohexa-1,3-dienecarboxylic acid
IUPAC Name:3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid
Traditional Name:3-[3-(2-chloroethylsulfonyl)propylamino]cyclohexa-1,3-diene-1-carboxylic acid
Formula: C12H18ClNO4S
MolecularWeight: 307.79362
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)NCCCS(=O)(=O)CCCl)C(=O)O


Isomeric SMILES

C1CC(=CC(=C1)NCCCS(=O)(=O)CCCl)C(=O)O


InChI

InChI=1S/C12H18ClNO4S/c13-5-8-19(17,18)7-2-6-14-11-4-1-3-10(9-11)12(15)16/h4,9,14H,1-3,5-8H2,(H,15,16)


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