[1-(4-oxidanylphenoxy)-4-phenoxy-1-phosphono-butyl]phosphonic acid

Systemtic Name: [1-(4-oxidanylphenoxy)-4-phenoxy-1-phosphono-butyl]phosphonic acid Openeye Name: [1-(4-hydroxyphenoxy)-4-phenoxy-1-phosphono-butyl]phosphonic acid CAS Name: [1-(4-hydroxyphenoxy)-4-phenoxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-(4-hydroxyphenoxy)-4-phenoxy-1-phosphonobutyl]phosphonic acid Traditional Name: [1-(4-hydroxyphenoxy)-4-phenoxy-1-phosphono-butyl]phosphonic acid Formula: C16H20O9P2 MolecularWeight: 418.272122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O9P2/c17-13-7-9-15(10-8-13)25-16(26(18,19)20,27(21,22)23)11-4-12-24-14-5-2-1-3-6-14/h1-3,5-10,17H,4,11-12H2,(H2,18,19,20)(H2,21,22,23)