4-[2-methoxy-6-(4-phosphonoheptan-4-yl)naphthalen-1-yl]heptan-4-ylphosphonic acid

Systemtic Name: 4-[2-methoxy-6-(4-phosphonoheptan-4-yl)naphthalen-1-yl]heptan-4-ylphosphonic acid Openeye Name: [1-[2-methoxy-6-(1-phosphono-1-propyl-butyl)-1-naphthyl]-1-propyl-butyl]phosphonic acid CAS Name: 4-[2-methoxy-6-(4-phosphonoheptan-4-yl)-1-naphthalenyl]heptan-4-ylphosphonic acid IUPAC Name: 4-[2-methoxy-6-(4-phosphonoheptan-4-yl)naphthalen-1-yl]heptan-4-ylphosphonic acid Traditional Name: [1-[2-methoxy-6-(1-phosphono-1-propyl-butyl)-1-naphthyl]-1-propyl-butyl]phosphonic acid Formula: C25H40O7P2 MolecularWeight: 514.528422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CCC)(CCC)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCC(CCC)(C1=CC2=C(C=C1)C(=C(C=C2)OC)C(CCC)(CCC)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C25H40O7P2/c1-6-14-24(15-7-2,33(26,27)28)20-11-12-21-19(18-20)10-13-22(32-5)23(21)25(16-8-3,17-9-4)34(29,30)31/h10-13,18H,6-9,14-17H2,1-5H3,(H2,26,27,28)(H2,29,30,31)