2-[(E)-4-diphenylphosphorylbut-2-en-2-yl]-4-methoxy-5-methyl-benzoic acid

Systemtic Name: 2-[(E)-4-diphenylphosphorylbut-2-en-2-yl]-4-methoxy-5-methyl-benzoic acid Openeye Name: 2-[(E)-3-diphenylphosphoryl-1-methyl-prop-1-enyl]-4-methoxy-5-methyl-benzoic acid CAS Name: 2-[(E)-4-diphenylphosphorylbut-2-en-2-yl]-4-methoxy-5-methylbenzoic acid IUPAC Name: 2-[(E)-4-diphenylphosphorylbut-2-en-2-yl]-4-methoxy-5-methylbenzoic acid Traditional Name: 2-[(E)-3-diphenylphosphoryl-1-methyl-prop-1-enyl]-4-methoxy-5-methyl-benzoic acid Formula: C25H25O4P MolecularWeight: 420.437361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)O)C(=CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C)OC

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)O)/C(=C/CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)/C)OC

InChI

InChI=1S/C25H25O4P/c1-18(22-17-24(29-3)19(2)16-23(22)25(26)27)14-15-30(28,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-14,16-17H,15H2,1-3H3,(H,26,27)/b18-14+