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2-[7-methoxy-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

2-[7-methoxy-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid

Systemtic Name:2-[7-methoxy-4-(4-methylsulfonylphenyl)carbonyl-naphthalen-2-yl]ethanoic acid
Openeye Name:2-[7-methoxy-4-(4-methylsulfonylbenzoyl)-2-naphthyl]acetic acid
CAS Name:2-[7-methoxy-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-naphthalenyl]acetic acid
IUPAC Name:2-[7-methoxy-4-(4-methylsulfonylbenzoyl)naphthalen-2-yl]acetic acid
Traditional Name:2-[4-(4-mesylbenzoyl)-7-methoxy-2-naphthyl]acetic acid
Formula: C21H18O6S
MolecularWeight: 398.42902
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CC(=C2C=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O


Isomeric SMILES

COC1=CC2=CC(=CC(=C2C=C1)C(=O)C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O


InChI

InChI=1S/C21H18O6S/c1-27-16-5-8-18-15(12-16)9-13(11-20(22)23)10-19(18)21(24)14-3-6-17(7-4-14)28(2,25)26/h3-10,12H,11H2,1-2H3,(H,22,23)


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