benzenesulfonic acid; 3-methylaniline; phenol

Systemtic Name: benzenesulfonic acid; 3-methylaniline; phenol Openeye Name: benzenesulfonic acid; 3-methylaniline; phenol CAS Name: benzenesulfonic acid; 3-methylaniline; phenol IUPAC Name: benzenesulfonic acid; 3-methylaniline; phenol Traditional Name: besylic acid; m-toluidine; phenol Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C6H6O3S.C6H6O/c1-6-3-2-4-7(8)5-6;7-10(8,9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h2-5H,8H2,1H3;1-5H,(H,7,8,9);1-5,7H