3-[2,3-dimethyl-4-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2,3-dimethyl-4-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2,3-dimethyl-1-naphthyl]propyl]phosphonic acid CAS Name: 3-[2,3-dimethyl-4-(3-phosphonopentan-3-yl)-1-naphthalenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2,3-dimethyl-4-(3-phosphonopentan-3-yl)naphthalen-1-yl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2,3-dimethyl-1-naphthyl]propyl]phosphonic acid Formula: C22H34O6P2 MolecularWeight: 456.449282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(C(=C(C2=CC=CC=C21)C(CC)(CC)P(=O)(O)O)C)C)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=C(C(=C(C2=CC=CC=C21)C(CC)(CC)P(=O)(O)O)C)C)P(=O)(O)O

InChI

InChI=1S/C22H34O6P2/c1-7-21(8-2,29(23,24)25)19-15(5)16(6)20(18-14-12-11-13-17(18)19)22(9-3,10-4)30(26,27)28/h11-14H,7-10H2,1-6H3,(H2,23,24,25)(H2,26,27,28)