sodium 4-(2-chloranyl-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonate

Systemtic Name: sodium 4-(2-chloranyl-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonate Openeye Name: sodium 4-(2-chloro-3,5,5-trimethyl-hexanoyl)oxybenzenesulfonate CAS Name: sodium 4-(2-chloro-3,5,5-trimethyl-1-oxohexoxy)benzenesulfonate IUPAC Name: sodium 4-(2-chloro-3,5,5-trimethylhexanoyl)oxybenzenesulfonate Traditional Name: sodium 4-(2-chloro-3,5,5-trimethyl-hexanoyl)oxybesylate Formula: C15H20ClNaO5S MolecularWeight: 370.82407

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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.[Na+]

Isomeric SMILES

CC(CC(C)(C)C)C(C(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C15H21ClO5S.Na/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);/q;+1/p-1