(4-octadeca-10,12-diynoyloxyphenyl) octadeca-10,12-diynoate

Systemtic Name: (4-octadeca-10,12-diynoyloxyphenyl) octadeca-10,12-diynoate Openeye Name: (4-octadeca-10,12-diynoyloxyphenyl) octadeca-10,12-diynoate CAS Name: octadeca-10,12-diynoic acid [4-(1-oxooctadeca-10,12-diynoxy)phenyl] ester IUPAC Name: (4-octadeca-10,12-diynoyloxyphenyl) octadeca-10,12-diynoate Traditional Name: octadeca-10,12-diynoic acid (4-octadeca-10,12-diynoyloxyphenyl) ester Formula: C42H58O4 MolecularWeight: 626.90752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC#CCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)CCCCCCCCC#CC#CCCCCC

Isomeric SMILES

CCCCCC#CC#CCCCCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)CCCCCCCCC#CC#CCCCCC

InChI

InChI=1S/C42H58O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(43)45-39-35-37-40(38-36-39)46-42(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-10,19-34H2,1-2H3