4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxy-phenyl]ethynyl]aniline

Systemtic Name: 4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxy-phenyl]ethynyl]aniline Openeye Name: 4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxy-phenyl]ethynyl]aniline CAS Name: 4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxyphenyl]ethynyl]aniline IUPAC Name: 4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxyphenyl]ethynyl]aniline Traditional Name: [4-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)-2,5-dioctoxy-phenyl]ethynyl]phenyl]amine Formula: C36H53NO4 MolecularWeight: 563.81032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)N)OCCCCCCCC)C3OCC(CO3)(C)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)N)OCCCCCCCC)C3OCC(CO3)(C)C

InChI

InChI=1S/C36H53NO4/c1-5-7-9-11-13-15-23-38-33-26-32(35-40-27-36(3,4)28-41-35)34(39-24-16-14-12-10-8-6-2)25-30(33)20-17-29-18-21-31(37)22-19-29/h18-19,21-22,25-26,35H,5-16,23-24,27-28,37H2,1-4H3