2-[(E)-6-acetyloxy-4-methyl-hex-4-enyl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(E)-6-acetyloxy-4-methyl-hex-4-enyl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(E)-6-acetoxy-4-methyl-hex-4-enyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(E)-6-acetyloxy-4-methylhex-4-enyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-6-acetyloxy-4-methylhex-4-enyl]-4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-6-acetoxy-4-methyl-hex-4-enyl]-4-methyl-besylic acid Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCCC(=CCOC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCC/C(=C/COC(=O)C)/C

InChI

InChI=1S/C16H22O5S/c1-12(9-10-21-14(3)17)5-4-6-15-11-13(2)7-8-16(15)22(18,19)20/h7-9,11H,4-6,10H2,1-3H3,(H,18,19,20)/b12-9+