4-[2,4,6-trimethyl-3,5-bis(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid

Systemtic Name: 4-[2,4,6-trimethyl-3,5-bis(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Openeye Name: [1-propyl-1-[2,4,6-trimethyl-3,5-bis(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid CAS Name: 4-[2,4,6-trimethyl-3,5-bis(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid IUPAC Name: 4-[2,4,6-trimethyl-3,5-bis(4-phosphonoheptan-4-yl)phenyl]heptan-4-ylphosphonic acid Traditional Name: [1-propyl-1-[2,4,6-trimethyl-3,5-bis(1-phosphono-1-propyl-butyl)phenyl]butyl]phosphonic acid Formula: C30H57O9P3 MolecularWeight: 654.689463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C1=C(C(=C(C(=C1C)C(CCC)(CCC)P(=O)(O)O)C)C(CCC)(CCC)P(=O)(O)O)C)P(=O)(O)O

Isomeric SMILES

CCCC(CCC)(C1=C(C(=C(C(=C1C)C(CCC)(CCC)P(=O)(O)O)C)C(CCC)(CCC)P(=O)(O)O)C)P(=O)(O)O

InChI

InChI=1S/C30H57O9P3/c1-10-16-28(17-11-2,40(31,32)33)25-22(7)26(29(18-12-3,19-13-4)41(34,35)36)24(9)27(23(25)8)30(20-14-5,21-15-6)42(37,38)39/h10-21H2,1-9H3,(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)