2,2-dimethylpropanoic acid; 4-methylbenzenesulfonic acid; (E)-2-methyloct-2-enoate

Systemtic Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonic acid; (E)-2-methyloct-2-enoate Openeye Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonic acid; (E)-2-methyloct-2-enoate CAS Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonic acid; (E)-2-methyl-2-octenoate IUPAC Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonic acid; (E)-2-methyloct-2-enoate Traditional Name: 2,2-dimethylpropionic acid; (E)-2-methyloct-2-enoate; tosylic acid Formula: C21H33O7S- MolecularWeight: 429.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C)C(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H16O2.C7H8O3S.C5H10O2/c1-3-4-5-6-7-8(2)9(10)11;1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4(6)7/h7H,3-6H2,1-2H3,(H,10,11);2-5H,1H3,(H,8,9,10);1-3H3,(H,6,7)/p-1/b8-7+;;