N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-(2,4-ditert-butylphenoxy)phosphonamidous acid

Systemtic Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-(2,4-ditert-butylphenoxy)phosphonamidous acid Openeye Name: (2,4-ditert-butylphenoxy)-N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]phosphonamidous acid CAS Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-(2,4-ditert-butylphenoxy)phosphonamidous acid IUPAC Name: N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-(2,4-ditert-butylphenoxy)phosphonamidous acid Traditional Name: (2,4-ditert-butylphenoxy)-N-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]phosphonamidous acid Formula: C34H52NO2P MolecularWeight: 537.755941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNP(O)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNP(O)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C34H52NO2P/c1-23(2)24-12-15-27-25(20-24)13-17-30-33(9,18-11-19-34(27,30)10)22-35-38(36)37-29-16-14-26(31(3,4)5)21-28(29)32(6,7)8/h12,14-16,20-21,23,30,35-36H,11,13,17-19,22H2,1-10H3