2-[3,6-bis(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid

Systemtic Name: 2-[3,6-bis(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid Openeye Name: [1-[3,6-bis(1-methyl-1-phosphono-ethyl)-2-naphthyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[3,6-bis(2-phosphonopropan-2-yl)-2-naphthalenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[3,6-bis(2-phosphonopropan-2-yl)naphthalen-2-yl]propan-2-ylphosphonic acid Traditional Name: [1-[3,6-bis(1-methyl-1-phosphono-ethyl)-2-naphthyl]-1-methyl-ethyl]phosphonic acid Formula: C19H29O9P3 MolecularWeight: 494.349443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=CC(=C(C=C2C=C1)C(C)(C)P(=O)(O)O)C(C)(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)(C1=CC2=CC(=C(C=C2C=C1)C(C)(C)P(=O)(O)O)C(C)(C)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C19H29O9P3/c1-17(2,29(20,21)22)14-8-7-12-10-15(18(3,4)30(23,24)25)16(11-13(12)9-14)19(5,6)31(26,27)28/h7-11H,1-6H3,(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)