4-methylbenzenesulfonic acid; 4-methylchromen-2-one

Systemtic Name: 4-methylbenzenesulfonic acid; 4-methylchromen-2-one Openeye Name: 4-methylbenzenesulfonic acid; 4-methylchromen-2-one CAS Name: 4-methylbenzenesulfonic acid; 4-methyl-1-benzopyran-2-one IUPAC Name: 4-methylbenzenesulfonic acid; 4-methylchromen-2-one Traditional Name: 4-methylcoumarin; tosylic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=CC=CC=C12

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=CC=CC=C12

InChI

InChI=1S/C10H8O2.C7H8O3S/c1-7-6-10(11)12-9-5-3-2-4-8(7)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)