sodium 4-(2-methylprop-2-enyl)benzenesulfonate

Systemtic Name: sodium 4-(2-methylprop-2-enyl)benzenesulfonate Openeye Name: sodium 4-(2-methylallyl)benzenesulfonate CAS Name: sodium 4-(2-methylprop-2-enyl)benzenesulfonate IUPAC Name: sodium 4-(2-methylprop-2-enyl)benzenesulfonate Traditional Name: sodium 4-(2-methylallyl)besylate Formula: C10H11NaO3S MolecularWeight: 234.24731

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=C)CC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O3S.Na/c1-8(2)7-9-3-5-10(6-4-9)14(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1