[2-(4-methylphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-methylphenyl)-1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-1-phosphono-2-(p-tolyl)ethyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-2-(4-methylphenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-2-(4-methylphenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-1-phosphono-2-(p-tolyl)ethyl]phosphonic acid Formula: C15H18O8P2 MolecularWeight: 388.246142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC(OC2=CC=C(C=C2)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C15H18O8P2/c1-11-2-4-12(5-3-11)10-15(24(17,18)19,25(20,21)22)23-14-8-6-13(16)7-9-14/h2-9,16H,10H2,1H3,(H2,17,18,19)(H2,20,21,22)