[1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynyl-phenyl)but-1-enyl]phosphonic acid

Systemtic Name: [1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynyl-phenyl)but-1-enyl]phosphonic acid Openeye Name: [1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynyl-phenyl)but-1-enyl]phosphonic acid CAS Name: [1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynylphenyl)but-1-enyl]phosphonic acid IUPAC Name: [1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynylphenyl)but-1-enyl]phosphonic acid Traditional Name: [1-phosphono-2-(2,4,5-triethyl-3-tridec-1-ynyl-phenyl)but-1-enyl]phosphonic acid Formula: C29H48O6P2 MolecularWeight: 554.635342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=C(C(=CC(=C1CC)CC)C(=C(P(=O)(O)O)P(=O)(O)O)CC)CC

Isomeric SMILES

CCCCCCCCCCCC#CC1=C(C(=CC(=C1CC)CC)C(=C(P(=O)(O)O)P(=O)(O)O)CC)CC

InChI

InChI=1S/C29H48O6P2/c1-6-11-12-13-14-15-16-17-18-19-20-21-27-24(8-3)23(7-2)22-28(25(27)9-4)26(10-5)29(36(30,31)32)37(33,34)35/h22H,6-19H2,1-5H3,(H2,30,31,32)(H2,33,34,35)