7,7-dimethyl-4-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-3-one; 4-methylbenzenesulfonic acid

Systemtic Name: 7,7-dimethyl-4-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-3-one; 4-methylbenzenesulfonic acid Openeye Name: 7,7-dimethyl-1-[(E)-styryl]norbornan-2-one; 4-methylbenzenesulfonic acid CAS Name: 7,7-dimethyl-4-[(E)-2-phenylethenyl]-3-bicyclo[2.2.1]heptanone; 4-methylbenzenesulfonic acid IUPAC Name: 7,7-dimethyl-4-[(E)-2-phenylethenyl]bicyclo[2.2.1]heptan-3-one; 4-methylbenzenesulfonic acid Traditional Name: 7,7-dimethyl-1-[(E)-styryl]norbornan-2-one; tosylic acid Formula: C24H28O4S MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(=O)C2)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2CCC1(C(=O)C2)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C17H20O.C7H8O3S/c1-16(2)14-9-11-17(16,15(18)12-14)10-8-13-6-4-3-5-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,10,14H,9,11-12H2,1-2H3;2-5H,1H3,(H,8,9,10)/b10-8+;