7-[(2,6-dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 7-[(2,6-dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid Openeye Name: 7-[(2,6-dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid CAS Name: 7-[(2,6-dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 7-[(2,6-dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid Traditional Name: 7-(2,6-dimethylbenzyl)oxy-4-(4-mesylphenyl)-2-naphthoic acid Formula: C27H24O5S MolecularWeight: 460.54146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)COC2=CC3=CC(=CC(=C3C=C2)C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C27H24O5S/c1-17-5-4-6-18(2)26(17)16-32-22-9-12-24-20(14-22)13-21(27(28)29)15-25(24)19-7-10-23(11-8-19)33(3,30)31/h4-15H,16H2,1-3H3,(H,28,29)