(2-methyl-6-methylsulfonyl-6-oxidanyl-1-phenyl-hexan-3-yl) naphthalene-2-carboxylate

Systemtic Name: (2-methyl-6-methylsulfonyl-6-oxidanyl-1-phenyl-hexan-3-yl) naphthalene-2-carboxylate Openeye Name: [4-hydroxy-1-(1-methyl-2-phenyl-ethyl)-4-methylsulfonyl-butyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid (6-hydroxy-2-methyl-6-methylsulfonyl-1-phenylhexan-3-yl) ester IUPAC Name: (6-hydroxy-2-methyl-6-methylsulfonyl-1-phenylhexan-3-yl) naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [4-hydroxy-4-mesyl-1-(1-methyl-2-phenyl-ethyl)butyl] ester Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCC(O)S(=O)(=O)C)OC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CCC(O)S(=O)(=O)C)OC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H28O5S/c1-18(16-19-8-4-3-5-9-19)23(14-15-24(26)31(2,28)29)30-25(27)22-13-12-20-10-6-7-11-21(20)17-22/h3-13,17-18,23-24,26H,14-16H2,1-2H3