2,4-dimethylbenzoic acid; 3-[3-[(4-methyloxan-4-yl)methylsulfonyl]propoxy]pyridine

Systemtic Name: 2,4-dimethylbenzoic acid; 3-[3-[(4-methyloxan-4-yl)methylsulfonyl]propoxy]pyridine Openeye Name: 2,4-dimethylbenzoic acid; 3-[3-[(4-methyltetrahydropyran-4-yl)methylsulfonyl]propoxy]pyridine CAS Name: 2,4-dimethylbenzoic acid; 3-[3-[(4-methyl-4-oxanyl)methylsulfonyl]propoxy]pyridine IUPAC Name: 2,4-dimethylbenzoic acid; 3-[3-[(4-methyloxan-4-yl)methylsulfonyl]propoxy]pyridine Traditional Name: 3-[3-[(4-methyltetrahydropyran-4-yl)methylsulfonyl]propoxy]pyridine; 2,4-xylic acid Formula: C24H33NO6S MolecularWeight: 463.58692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CC1(CCOCC1)CS(=O)(=O)CCCOC2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CC1(CCOCC1)CS(=O)(=O)CCCOC2=CN=CC=C2

InChI

InChI=1S/C15H23NO4S.C9H10O2/c1-15(5-9-19-10-6-15)13-21(17,18)11-3-8-20-14-4-2-7-16-12-14;1-6-3-4-8(9(10)11)7(2)5-6/h2,4,7,12H,3,5-6,8-11,13H2,1H3;3-5H,1-2H3,(H,10,11)