[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbamoylphosphonic acid

Systemtic Name: [3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbamoylphosphonic acid Openeye Name: [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]carbamoylphosphonic acid CAS Name: [[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-oxomethyl]phosphonic acid IUPAC Name: [4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamoylphosphonic acid Traditional Name: [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]carbamoylphosphonic acid Formula: C18H22NO6P MolecularWeight: 379.344141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)NC(=O)P(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)NC(=O)P(=O)(O)O

InChI

InChI=1S/C18H22NO6P/c1-10(2)15-9-14(5-6-16(15)20)25-17-11(3)7-13(8-12(17)4)19-18(21)26(22,23)24/h5-10,20H,1-4H3,(H,19,21)(H2,22,23,24)