[4-[(4-hexa-1,3,5-triynoxyphenyl)methylperoxy]-3-methyl-phenyl] 4-oxidanylbenzoate

Systemtic Name: [4-[(4-hexa-1,3,5-triynoxyphenyl)methylperoxy]-3-methyl-phenyl] 4-oxidanylbenzoate Openeye Name: [4-[(4-hexa-1,3,5-triynoxyphenyl)methylperoxy]-3-methyl-phenyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [4-[(4-hexa-1,3,5-triynoxyphenyl)methyldioxy]-3-methylphenyl] ester IUPAC Name: [4-[(4-hexa-1,3,5-triynoxyphenyl)methylperoxy]-3-methylphenyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [4-(4-hexa-1,3,5-triynoxybenzyl)peroxy-3-methyl-phenyl] ester Formula: C27H18O6 MolecularWeight: 438.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OOCC3=CC=C(C=C3)OC#CC#CC#C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OOCC3=CC=C(C=C3)OC#CC#CC#C

InChI

InChI=1S/C27H18O6/c1-3-4-5-6-17-30-24-13-7-21(8-14-24)19-31-33-26-16-15-25(18-20(26)2)32-27(29)22-9-11-23(28)12-10-22/h1,7-16,18,28H,19H2,2H3