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

Systemtic Name: 2,4-bis(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide Openeye Name: 2,4-bis(1,1-dimethylhexyl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide CAS Name: 2,4-bis(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphorin-6-ium 6-oxide IUPAC Name: 2,4-bis(2-methylheptan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide Traditional Name: 2,4-bis(1,1-dimethylhexyl)benzo[c][1,2]benzoxaphosphorin-6-ium 6-oxide Formula: C28H40O2P+ MolecularWeight: 439.589761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C2C(=C1)C3=CC=CC=C3[P+](=O)O2)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C2C(=C1)C3=CC=CC=C3[P+](=O)O2)C(C)(C)CCCCC

InChI

InChI=1S/C28H40O2P/c1-7-9-13-17-27(3,4)21-19-23-22-15-11-12-16-25(22)31(29)30-26(23)24(20-21)28(5,6)18-14-10-8-2/h11-12,15-16,19-20H,7-10,13-14,17-18H2,1-6H3/q+1