methylbenzene; 7-(3-methylpyridin-2-yl)-3-oxidanyl-2-sulfonyl-heptanoic acid

Systemtic Name: methylbenzene; 7-(3-methylpyridin-2-yl)-3-oxidanyl-2-sulfonyl-heptanoic acid Openeye Name: 3-hydroxy-7-(3-methyl-2-pyridyl)-2-sulfonyl-heptanoic acid; toluene CAS Name: 3-hydroxy-7-(3-methyl-2-pyridinyl)-2-sulfonylheptanoic acid; toluene IUPAC Name: 3-hydroxy-7-(3-methylpyridin-2-yl)-2-sulfonylheptanoic acid; toluene Traditional Name: 3-hydroxy-7-(3-methyl-2-pyridyl)-2-sulfonyl-enanthic acid; toluene Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=C(N=CC=C1)CCCCC(C(=S(=O)=O)C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1.CC1=C(N=CC=C1)CCCCC(C(=S(=O)=O)C(=O)O)O

InChI

InChI=1S/C13H17NO5S.C7H8/c1-9-5-4-8-14-10(9)6-2-3-7-11(15)12(13(16)17)20(18)19;1-7-5-3-2-4-6-7/h4-5,8,11,15H,2-3,6-7H2,1H3,(H,16,17);2-6H,1H3