2-methoxy-5-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)iminomethyl]benzenesulfonic acid; sodium

Systemtic Name: 2-methoxy-5-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)iminomethyl]benzenesulfonic acid; sodium Openeye Name: 5-[(4-hydroxy-5-isopropyl-2-methyl-phenyl)iminomethyl]-2-methoxy-benzenesulfonic acid; sodium CAS Name: 5-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)iminomethyl]-2-methoxybenzenesulfonic acid; sodium IUPAC Name: 5-[(4-hydroxy-2-methyl-5-propan-2-ylphenyl)iminomethyl]-2-methoxybenzenesulfonic acid; sodium Traditional Name: 5-[(4-hydroxy-5-isopropyl-2-methyl-phenyl)iminomethyl]-2-methoxy-besylic acid; sodium Formula: C18H21NNaO5S MolecularWeight: 386.41781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)N=CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)N=CC2=CC(=C(C=C2)OC)S(=O)(=O)O.[Na]

InChI

InChI=1S/C18H21NO5S.Na/c1-11(2)14-9-15(12(3)7-16(14)20)19-10-13-5-6-17(24-4)18(8-13)25(21,22)23;/h5-11,20H,1-4H3,(H,21,22,23);