2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; piperazine

Systemtic Name: 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid; piperazine Openeye Name: 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid; piperazine CAS Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; piperazine IUPAC Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; piperazine Traditional Name: 4-hydroxy-5-isopropyl-2-methyl-besylic acid; piperazine Formula: C14H24N2O4S MolecularWeight: 316.41636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1CNCCN1

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1CNCCN1

InChI

InChI=1S/C10H14O4S.C4H10N2/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-2-6-4-3-5-1/h4-6,11H,1-3H3,(H,12,13,14);5-6H,1-4H2