2,4,8-tris(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide

Systemtic Name: 2,4,8-tris(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide Openeye Name: 2,4,8-tris(1,1-dimethylhexyl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide CAS Name: 2,4,8-tris(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphorin-6-ium 6-oxide IUPAC Name: 2,4,8-tris(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide Traditional Name: 2,4,8-tris(1,1-dimethylhexyl)benzo[c][1,2]benzoxaphosphorin-6-ium 6-oxide Formula: C36H56O2P+ MolecularWeight: 551.802401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC2=C(C=C1)C3=CC(=CC(=C3O[P+]2=O)C(C)(C)CCCCC)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC2=C(C=C1)C3=CC(=CC(=C3O[P+]2=O)C(C)(C)CCCCC)C(C)(C)CCCCC

InChI

InChI=1S/C36H56O2P/c1-10-13-16-21-34(4,5)27-19-20-29-30-24-28(35(6,7)22-17-14-11-2)25-31(36(8,9)23-18-15-12-3)33(30)38-39(37)32(29)26-27/h19-20,24-26H,10-18,21-23H2,1-9H3/q+1