7-methoxy-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 7-methoxy-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid Openeye Name: 7-methoxy-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid CAS Name: 7-methoxy-4-methyl-1-benzopyran-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 7-methoxy-4-methylchromen-2-one; 4-methylbenzenesulfonic acid Traditional Name: 7-methoxy-4-methyl-coumarin; tosylic acid Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=C1C=CC(=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=O)OC2=C1C=CC(=C2)OC

InChI

InChI=1S/C11H10O3.C7H8O3S/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)