1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tris[9,9,10,10,11,11,12,12,12-nonakis(fluoranyl)dodecoxy]benzoate

Systemtic Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tris[9,9,10,10,11,11,12,12,12-nonakis(fluoranyl)dodecoxy]benzoate Openeye Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tris(9,9,10,10,11,11,12,12,12-nonafluorododecoxy)benzoate CAS Name: 3,4,5-tris(9,9,10,10,11,11,12,12,12-nonafluorododecoxy)benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl 3,4,5-tris(9,9,10,10,11,11,12,12,12-nonafluorododecoxy)benzoate Traditional Name: 3,4,5-tris(9,9,10,10,11,11,12,12,12-nonafluorododecoxy)benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester Formula: C54H71F27O10 MolecularWeight: 1393.092426

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCC(OCCOCCO1)COC(=O)C2=CC(=C(C(=C2)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1COCCOCC(OCCOCCO1)COC(=O)C2=CC(=C(C(=C2)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C54H71F27O10/c55-43(56,46(61,62)49(67,68)52(73,74)75)19-13-7-1-4-10-16-22-88-39-33-37(42(82)91-36-38-35-86-30-29-84-26-25-83-27-28-85-31-32-87-38)34-40(89-23-17-11-5-2-8-14-20-44(57,58)47(63,64)50(69,70)53(76,77)78)41(39)90-24-18-12-6-3-9-15-21-45(59,60)48(65,66)51(71,72)54(79,80)81/h33-34,38H,1-32,35-36H2