4-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonic acid

Systemtic Name: 4-(2-chloranyl-2-ethyl-hexanoyl)oxybenzenesulfonic acid Openeye Name: 4-(2-chloro-2-ethyl-hexanoyl)oxybenzenesulfonic acid CAS Name: 4-(2-chloro-2-ethyl-1-oxohexoxy)benzenesulfonic acid IUPAC Name: 4-(2-chloro-2-ethylhexanoyl)oxybenzenesulfonic acid Traditional Name: 4-(2-chloro-2-ethyl-hexanoyl)oxybesylic acid Formula: C14H19ClO5S MolecularWeight: 334.81566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClO5S/c1-3-5-10-14(15,4-2)13(16)20-11-6-8-12(9-7-11)21(17,18)19/h6-9H,3-5,10H2,1-2H3,(H,17,18,19)