3-methylbenzenesulfonic acid; (3-methyl-4-oxidanyl-phenyl) thiocyanate

Systemtic Name: 3-methylbenzenesulfonic acid; (3-methyl-4-oxidanyl-phenyl) thiocyanate Openeye Name: (4-hydroxy-3-methyl-phenyl) thiocyanate; 3-methylbenzenesulfonic acid CAS Name: 3-methylbenzenesulfonic acid; thiocyanic acid (4-hydroxy-3-methylphenyl) ester IUPAC Name: (4-hydroxy-3-methylphenyl) thiocyanate; 3-methylbenzenesulfonic acid Traditional Name: 3-methylbesylic acid; thiocyanic acid (4-hydroxy-3-methyl-phenyl) ester Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)O.CC1=C(C=CC(=C1)SC#N)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)O.CC1=C(C=CC(=C1)SC#N)O

InChI

InChI=1S/C8H7NOS.C7H8O3S/c1-6-4-7(11-5-9)2-3-8(6)10;1-6-3-2-4-7(5-6)11(8,9)10/h2-4,10H,1H3;2-5H,1H3,(H,8,9,10)