methylbenzene; 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonyl-butanoic acid

Systemtic Name: methylbenzene; 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonyl-butanoic acid Openeye Name: 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonyl-butanoic acid; toluene CAS Name: 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonylbutanoic acid; toluene IUPAC Name: 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonylbutanoic acid; toluene Traditional Name: 4-[2-(4-methylphenoxy)ethoxy]-2-sulfonyl-butyric acid; toluene Formula: C20H24O6S MolecularWeight: 392.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)OCCOCCC(=S(=O)=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)OCCOCCC(=S(=O)=O)C(=O)O

InChI

InChI=1S/C13H16O6S.C7H8/c1-10-2-4-11(5-3-10)19-9-8-18-7-6-12(13(14)15)20(16)17;1-7-5-3-2-4-6-7/h2-5H,6-9H2,1H3,(H,14,15);2-6H,1H3