4-methyl-2-phenethyl-benzenesulfonic acid

Systemtic Name: 4-methyl-2-phenethyl-benzenesulfonic acid Openeye Name: 4-methyl-2-phenethyl-benzenesulfonic acid CAS Name: 4-methyl-2-phenethylbenzenesulfonic acid IUPAC Name: 4-methyl-2-phenethylbenzenesulfonic acid Traditional Name: 4-methyl-2-phenethyl-besylic acid Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CCC2=CC=CC=C2

InChI

InChI=1S/C15H16O3S/c1-12-7-10-15(19(16,17)18)14(11-12)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H,16,17,18)