4-methylbenzenesulfonic acid; 2-methylprop-2-enyl heptanoate

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methylprop-2-enyl heptanoate Openeye Name: 2-methylallyl heptanoate; 4-methylbenzenesulfonic acid CAS Name: heptanoic acid 2-methylprop-2-enyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 2-methylprop-2-enyl heptanoate Traditional Name: enanthic acid 2-methylallyl ester; tosylic acid Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(=C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC(=O)OCC(=C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H20O2.C7H8O3S/c1-4-5-6-7-8-11(12)13-9-10(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h2,4-9H2,1,3H3;2-5H,1H3,(H,8,9,10)