4-(2-chloranyl-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonic acid

Systemtic Name: 4-(2-chloranyl-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonic acid Openeye Name: 4-(2-chloro-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonic acid CAS Name: 4-(2-chloro-3,5,5-trimethyl-1-oxohexoxy)benzenesulfonic acid IUPAC Name: 4-(2-chloro-3,5,5-trimethylhexanoyl)oxybenzenesulfonic acid Traditional Name: 4-(2-chloro-3,5,5-trimethyl-hexanoyl)oxybesylic acid Formula: C15H21ClO5S MolecularWeight: 348.84224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)C(C(=O)OC1=CC=C(C=C1)S(=O)(=O)O)Cl

Isomeric SMILES

CC(CC(C)(C)C)C(C(=O)OC1=CC=C(C=C1)S(=O)(=O)O)Cl

InChI

InChI=1S/C15H21ClO5S/c1-10(9-15(2,3)4)13(16)14(17)21-11-5-7-12(8-6-11)22(18,19)20/h5-8,10,13H,9H2,1-4H3,(H,18,19,20)