2-ethenyl-4-ethyl-benzenesulfonic acid; 2-prop-2-enylbenzenesulfonic acid

Systemtic Name: 2-ethenyl-4-ethyl-benzenesulfonic acid; 2-prop-2-enylbenzenesulfonic acid Openeye Name: 2-allylbenzenesulfonic acid; 4-ethyl-2-vinyl-benzenesulfonic acid CAS Name: 2-ethenyl-4-ethylbenzenesulfonic acid; 2-prop-2-enylbenzenesulfonic acid IUPAC Name: 2-ethenyl-4-ethylbenzenesulfonic acid; 2-prop-2-enylbenzenesulfonic acid Traditional Name: 2-allylbesylic acid; 4-ethyl-2-vinyl-besylic acid Formula: C19H22O6S2 MolecularWeight: 410.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)S(=O)(=O)O)C=C.C=CCC1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1)S(=O)(=O)O)C=C.C=CCC1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C10H12O3S.C9H10O3S/c1-3-8-5-6-10(14(11,12)13)9(4-2)7-8;1-2-5-8-6-3-4-7-9(8)13(10,11)12/h4-7H,2-3H2,1H3,(H,11,12,13);2-4,6-7H,1,5H2,(H,10,11,12)