diethyl(methyl)azanium; 4-methylbenzenesulfonic acid; (Z)-2-methylpent-2-enoate

Systemtic Name: diethyl(methyl)azanium; 4-methylbenzenesulfonic acid; (Z)-2-methylpent-2-enoate Openeye Name: diethyl(methyl)ammonium; 4-methylbenzenesulfonic acid; (Z)-2-methylpent-2-enoate CAS Name: diethyl(methyl)ammonium; 4-methylbenzenesulfonic acid; (Z)-2-methyl-2-pentenoate IUPAC Name: diethyl(methyl)azanium; 4-methylbenzenesulfonic acid; (Z)-2-methylpent-2-enoate Traditional Name: diethyl(methyl)ammonium; (Z)-2-methylpent-2-enoate; tosylic acid Formula: C18H31NO5S MolecularWeight: 373.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(=O)[O-].CC[NH+](C)CC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC/C=C(/C)\C(=O)[O-].CC[NH+](C)CC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C6H10O2.C5H13N/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-5(2)6(7)8;1-4-6(3)5-2/h2-5H,1H3,(H,8,9,10);4H,3H2,1-2H3,(H,7,8);4-5H2,1-3H3/b;5-4-;