[(10Z)-10-(naphthalen-1-ylmethylidene)cyclodeca-2,8-diyn-1-yl] 2-phenylmethoxyethanoate

Systemtic Name: [(10Z)-10-(naphthalen-1-ylmethylidene)cyclodeca-2,8-diyn-1-yl] 2-phenylmethoxyethanoate Openeye Name: [(10Z)-10-(1-naphthylmethylene)cyclodeca-2,8-diyn-1-yl] 2-benzyloxyacetate CAS Name: 2-phenylmethoxyacetic acid [(10Z)-10-(1-naphthalenylmethylidene)-1-cyclodeca-2,8-diynyl] ester IUPAC Name: [(10Z)-10-(naphthalen-1-ylmethylidene)cyclodeca-2,8-diyn-1-yl] 2-phenylmethoxyacetate Traditional Name: 2-benzoxyacetic acid [(10Z)-10-(1-naphthylmethylene)cyclodeca-2,8-diyn-1-yl] ester Formula: C30H26O3 MolecularWeight: 434.52564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC#CC(=CC2=CC=CC3=CC=CC=C32)C(C#CC1)OC(=O)COCC4=CC=CC=C4

Isomeric SMILES

C1CCC#C/C(=C/C2=CC=CC3=CC=CC=C32)/C(C#CC1)OC(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C30H26O3/c31-30(23-32-22-24-13-6-5-7-14-24)33-29-20-9-4-2-1-3-8-16-27(29)21-26-18-12-17-25-15-10-11-19-28(25)26/h5-7,10-15,17-19,21,29H,1-4,22-23H2/b27-21-