4-methylbenzenesulfonic acid; [(E)-oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: 4-methylbenzenesulfonic acid; [(E)-oct-2-en-2-yl] hydrogen carbonate Openeye Name: 4-methylbenzenesulfonic acid; [(E)-1-methylhept-1-enyl] hydrogen carbonate CAS Name: carbonic acid [(E)-oct-2-en-2-yl] ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; [(E)-oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [(E)-1-methylhept-1-enyl] ester; tosylic acid Formula: C16H24O6S MolecularWeight: 344.42316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C)OC(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC/C=C(\C)/OC(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H16O3.C7H8O3S/c1-3-4-5-6-7-8(2)12-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h7H,3-6H2,1-2H3,(H,10,11);2-5H,1H3,(H,8,9,10)/b8-7+;