2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonylhex-4-enoic acid

Systemtic Name: 2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonylhex-4-enoic acid Openeye Name: 2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonylhex-4-enoic acid CAS Name: 2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonyl-4-hexenoic acid IUPAC Name: 2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonylhex-4-enoic acid Traditional Name: 2,4-dimethyl-1-(3-methylbut-2-enyl)benzene; (E)-2-sulfonylhex-4-enoic acid Formula: C19H26O4S MolecularWeight: 350.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(=S(=O)=O)C(=O)O.CC1=CC(=C(C=C1)CC=C(C)C)C

Isomeric SMILES

C/C=C/CC(=S(=O)=O)C(=O)O.CC1=CC(=C(C=C1)CC=C(C)C)C

InChI

InChI=1S/C13H18.C6H8O4S/c1-10(2)5-7-13-8-6-11(3)9-12(13)4;1-2-3-4-5(6(7)8)11(9)10/h5-6,8-9H,7H2,1-4H3;2-3H,4H2,1H3,(H,7,8)/b;3-2+