tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) phosphate

Systemtic Name: tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) phosphate Openeye Name: tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) phosphate CAS Name: phosphoric acid tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) ester IUPAC Name: tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) phosphate Traditional Name: phosphoric acid tris(2-butoxy-2,3-dibutyl-1H-naphthalen-1-yl) ester Formula: C66H99O7P MolecularWeight: 1035.461821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(C1(CCCC)OCCCC)OP(=O)(OC3C4=CC=CC=C4C=C(C3(CCCC)OCCCC)CCCC)OC5C6=CC=CC=C6C=C(C5(CCCC)OCCCC)CCCC

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(C1(CCCC)OCCCC)OP(=O)(OC3C4=CC=CC=C4C=C(C3(CCCC)OCCCC)CCCC)OC5C6=CC=CC=C6C=C(C5(CCCC)OCCCC)CCCC

InChI

InChI=1S/C66H99O7P/c1-10-19-37-55-49-52-34-28-31-40-58(52)61(64(55,43-22-13-4)68-46-25-16-7)71-74(67,72-62-59-41-32-29-35-53(59)50-56(38-20-11-2)65(62,44-23-14-5)69-47-26-17-8)73-63-60-42-33-30-36-54(60)51-57(39-21-12-3)66(63,45-24-15-6)70-48-27-18-9/h28-36,40-42,49-51,61-63H,10-27,37-39,43-48H2,1-9H3