2-[4-(3-naphthalen-2-yloxypropylsulfonyl)phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(3-naphthalen-2-yloxypropylsulfonyl)phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(2-naphthyloxy)propylsulfonyl]phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[3-(2-naphthalenyloxy)propylsulfonyl]phenyl]-2-oxoacetic acid IUPAC Name: 2-[4-(3-naphthalen-2-yloxypropylsulfonyl)phenyl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-[3-(2-naphthoxy)propylsulfonyl]phenyl]acetic acid Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCCCS(=O)(=O)C3=CC=C(C=C3)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCCCS(=O)(=O)C3=CC=C(C=C3)C(=O)C(=O)O

InChI

InChI=1S/C21H18O6S/c22-20(21(23)24)16-7-10-19(11-8-16)28(25,26)13-3-12-27-18-9-6-15-4-1-2-5-17(15)14-18/h1-2,4-11,14H,3,12-13H2,(H,23,24)