3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)heptanoic acid

Systemtic Name: 3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)heptanoic acid Openeye Name: 3-(4-isopropylsulfonyl-2-methoxy-phenyl)heptanoic acid CAS Name: 3-(2-methoxy-4-propan-2-ylsulfonylphenyl)heptanoic acid IUPAC Name: 3-(2-methoxy-4-propan-2-ylsulfonylphenyl)heptanoic acid Traditional Name: 3-(4-isopropylsulfonyl-2-methoxy-phenyl)enanthic acid Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C(C)C)OC

Isomeric SMILES

CCCCC(CC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C(C)C)OC

InChI

InChI=1S/C17H26O5S/c1-5-6-7-13(10-17(18)19)15-9-8-14(11-16(15)22-4)23(20,21)12(2)3/h8-9,11-13H,5-7,10H2,1-4H3,(H,18,19)