[1-[3,4-bis(oxidanyl)phenoxy]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-[3,4-bis(oxidanyl)phenoxy]-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-(3,4-dihydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(3,4-dihydroxyphenoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-(3,4-dihydroxyphenoxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-(3,4-dihydroxyphenoxy)-1-phosphono-ethyl]phosphonic acid Formula: C8H12O9P2 MolecularWeight: 314.123002

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC(=C(C=C1)O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(OC1=CC(=C(C=C1)O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H12O9P2/c1-8(18(11,12)13,19(14,15)16)17-5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3,(H2,11,12,13)(H2,14,15,16)