3,7-bis(2-methylheptan-2-yl)-11-oxidanyl-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide

Systemtic Name: 3,7-bis(2-methylheptan-2-yl)-11-oxidanyl-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide Openeye Name: 3,7-bis(1,1-dimethylhexyl)-11-hydroxy-benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide CAS Name: 11-hydroxy-3,7-bis(2-methylheptan-2-yl)benzo[d][1,3,6,2]benzodioxathiaphosphocin 11-oxide IUPAC Name: 11-hydroxy-3,7-bis(2-methylheptan-2-yl)benzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide Traditional Name: 3,7-bis(1,1-dimethylhexyl)-11-hydroxy-benzo[d][1,3,6,2]benzodioxathiaphosphocin 11-oxide Formula: C28H41O4PS MolecularWeight: 504.661501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC2=C(C=C1)OP(=O)(OC3=C(S2)C=C(C=C3)C(C)(C)CCCCC)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC2=C(C=C1)OP(=O)(OC3=C(S2)C=C(C=C3)C(C)(C)CCCCC)O

InChI

InChI=1S/C28H41O4PS/c1-7-9-11-17-27(3,4)21-13-15-23-25(19-21)34-26-20-22(28(5,6)18-12-10-8-2)14-16-24(26)32-33(29,30)31-23/h13-16,19-20H,7-12,17-18H2,1-6H3,(H,29,30)