4-[3,6-bis(4-phosphonoheptan-4-yl)naphthalen-2-yl]heptan-4-ylphosphonic acid

Systemtic Name: 4-[3,6-bis(4-phosphonoheptan-4-yl)naphthalen-2-yl]heptan-4-ylphosphonic acid Openeye Name: [1-[3,6-bis(1-phosphono-1-propyl-butyl)-2-naphthyl]-1-propyl-butyl]phosphonic acid CAS Name: 4-[3,6-bis(4-phosphonoheptan-4-yl)-2-naphthalenyl]heptan-4-ylphosphonic acid IUPAC Name: 4-[3,6-bis(4-phosphonoheptan-4-yl)naphthalen-2-yl]heptan-4-ylphosphonic acid Traditional Name: [1-[3,6-bis(1-phosphono-1-propyl-butyl)-2-naphthyl]-1-propyl-butyl]phosphonic acid Formula: C31H53O9P3 MolecularWeight: 662.668403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53O9P3/c1-7-15-29(16-8-2,41(32,33)34)26-14-13-24-22-27(30(17-9-3,18-10-4)42(35,36)37)28(23-25(24)21-26)31(19-11-5,20-12-6)43(38,39)40/h13-14,21-23H,7-12,15-20H2,1-6H3,(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)