6-chloranyl-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 6-chloranyl-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid Openeye Name: 6-chloro-4-methyl-chromen-2-one; 4-methylbenzenesulfonic acid CAS Name: 6-chloro-4-methyl-1-benzopyran-2-one; 4-methylbenzenesulfonic acid IUPAC Name: 6-chloro-4-methylchromen-2-one; 4-methylbenzenesulfonic acid Traditional Name: 6-chloro-4-methyl-coumarin; tosylic acid Formula: C17H15ClO5S MolecularWeight: 366.816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClO2.C7H8O3S/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)