[4-(2-methylpropanoyloxy)phenyl] 4-[(6-prop-1-ynylnaphthalen-2-yl)methoxy]benzoate

Systemtic Name: [4-(2-methylpropanoyloxy)phenyl] 4-[(6-prop-1-ynylnaphthalen-2-yl)methoxy]benzoate Openeye Name: [4-(2-methylpropanoyloxy)phenyl] 4-[(6-prop-1-ynyl-2-naphthyl)methoxy]benzoate CAS Name: 4-[(6-prop-1-ynyl-2-naphthalenyl)methoxy]benzoic acid [4-(2-methyl-1-oxopropoxy)phenyl] ester IUPAC Name: [4-(2-methylpropanoyloxy)phenyl] 4-[(6-prop-1-ynylnaphthalen-2-yl)methoxy]benzoate Traditional Name: 4-[(6-prop-1-ynyl-2-naphthyl)methoxy]benzoic acid (4-isobutyryloxyphenyl) ester Formula: C31H26O5 MolecularWeight: 478.53514

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC2=C(C=C1)C=C(C=C2)COC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)OC(=O)C(C)C

Isomeric SMILES

CC#CC1=CC2=C(C=C1)C=C(C=C2)COC3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)OC(=O)C(C)C

InChI

InChI=1S/C31H26O5/c1-4-5-22-6-8-26-19-23(7-9-25(26)18-22)20-34-27-12-10-24(11-13-27)31(33)36-29-16-14-28(15-17-29)35-30(32)21(2)3/h6-19,21H,20H2,1-3H3