4-(2-methoxy-5-phenoxy-phenyl)-2-phosphono-butanoic acid

Systemtic Name: 4-(2-methoxy-5-phenoxy-phenyl)-2-phosphono-butanoic acid Openeye Name: 4-(2-methoxy-5-phenoxy-phenyl)-2-phosphono-butanoic acid CAS Name: 4-(2-methoxy-5-phenoxyphenyl)-2-phosphonobutanoic acid IUPAC Name: 4-(2-methoxy-5-phenoxyphenyl)-2-phosphonobutanoic acid Traditional Name: 4-(2-methoxy-5-phenoxy-phenyl)-2-phosphono-butyric acid Formula: C17H19O7P MolecularWeight: 366.302321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=CC=CC=C2)CCC(C(=O)O)P(=O)(O)O

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=CC=CC=C2)CCC(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C17H19O7P/c1-23-15-9-8-14(24-13-5-3-2-4-6-13)11-12(15)7-10-16(17(18)19)25(20,21)22/h2-6,8-9,11,16H,7,10H2,1H3,(H,18,19)(H2,20,21,22)