4-methylbenzoic acid; phenylsulfamic acid

Systemtic Name: 4-methylbenzoic acid; phenylsulfamic acid Openeye Name: 4-methylbenzoic acid; phenylsulfamic acid CAS Name: 4-methylbenzoic acid; phenylsulfamic acid IUPAC Name: 4-methylbenzoic acid; phenylsulfamic acid Traditional Name: phenylsulfamic acid; p-toluic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)NS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)NS(=O)(=O)O

InChI

InChI=1S/C8H8O2.C6H7NO3S/c1-6-2-4-7(5-3-6)8(9)10;8-11(9,10)7-6-4-2-1-3-5-6/h2-5H,1H3,(H,9,10);1-5,7H,(H,8,9,10)