5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid; piperazine

Systemtic Name: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid; piperazine Openeye Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-benzenesulfonic acid; piperazine CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-hydroxybenzenesulfonic acid; piperazine IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid; piperazine Traditional Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-besylic acid; piperazine Formula: C20H25ClN2O7S MolecularWeight: 472.9397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1

Isomeric SMILES

CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1

InChI

InChI=1S/C16H15ClO7S.C4H10N2/c1-16(2,24-11-5-3-10(17)4-6-11)15(19)23-12-7-8-13(18)14(9-12)25(20,21)22;1-2-6-4-3-5-1/h3-9,18H,1-2H3,(H,20,21,22);5-6H,1-4H2