[2,3,3-tributyl-2-(phenylmethyl)heptyl]phosphonic acid

Systemtic Name: [2,3,3-tributyl-2-(phenylmethyl)heptyl]phosphonic acid Openeye Name: (2-benzyl-2,3,3-tributyl-heptyl)phosphonic acid CAS Name: [2,3,3-tributyl-2-(phenylmethyl)heptyl]phosphonic acid IUPAC Name: (2-benzyl-2,3,3-tributylheptyl)phosphonic acid Traditional Name: (2-benzyl-2,3,3-tributyl-heptyl)phosphonic acid Formula: C26H47O3P MolecularWeight: 438.623341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CCCC)C(CCCC)(CC1=CC=CC=C1)CP(=O)(O)O

Isomeric SMILES

CCCCC(CCCC)(CCCC)C(CCCC)(CC1=CC=CC=C1)CP(=O)(O)O

InChI

InChI=1S/C26H47O3P/c1-5-9-18-25(19-10-6-2,20-11-7-3)26(21-12-8-4,23-30(27,28)29)22-24-16-14-13-15-17-24/h13-17H,5-12,18-23H2,1-4H3,(H2,27,28,29)