4-methylbenzenesulfonic acid; (E,2S)-5-pyridin-3-ylpent-4-en-2-ol

Systemtic Name: 4-methylbenzenesulfonic acid; (E,2S)-5-pyridin-3-ylpent-4-en-2-ol Openeye Name: 4-methylbenzenesulfonic acid; (E,2S)-5-(3-pyridyl)pent-4-en-2-ol CAS Name: 4-methylbenzenesulfonic acid; (E,2S)-5-(3-pyridinyl)-4-penten-2-ol IUPAC Name: 4-methylbenzenesulfonic acid; (E,2S)-5-pyridin-3-ylpent-4-en-2-ol Traditional Name: (E,2S)-5-(3-pyridyl)pent-4-en-2-ol; tosylic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](C/C=C/C1=CN=CC=C1)O

InChI

InChI=1S/C10H13NO.C7H8O3S/c1-9(12)4-2-5-10-6-3-7-11-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5-9,12H,4H2,1H3;2-5H,1H3,(H,8,9,10)/b5-2+;/t9-;/m0./s1