methylbenzene; 5-(4-methylphenyl)-2-sulfonyl-pent-4-ynoic acid

Systemtic Name: methylbenzene; 5-(4-methylphenyl)-2-sulfonyl-pent-4-ynoic acid Openeye Name: 5-(p-tolyl)-2-sulfonyl-pent-4-ynoic acid; toluene CAS Name: 5-(4-methylphenyl)-2-sulfonyl-4-pentynoic acid; toluene IUPAC Name: 5-(4-methylphenyl)-2-sulfonylpent-4-ynoic acid; toluene Traditional Name: 5-(p-tolyl)-2-sulfonyl-pent-4-ynoic acid; toluene Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)C#CCC(=S(=O)=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)C#CCC(=S(=O)=O)C(=O)O

InChI

InChI=1S/C12H10O4S.C7H8/c1-9-5-7-10(8-6-9)3-2-4-11(12(13)14)17(15)16;1-7-5-3-2-4-6-7/h5-8H,4H2,1H3,(H,13,14);2-6H,1H3