octan-2-yl 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoate

Systemtic Name: octan-2-yl 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoate Openeye Name: 1-methylheptyl 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoate CAS Name: 3-(4-octoxyphenyl)-4-phenylbenzenecarboperoxoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-(4-octoxyphenyl)-4-phenylbenzenecarboperoxoate Traditional Name: 3-(4-octoxyphenyl)-4-phenyl-benzenecarboperoxoic acid 1-methylheptyl ester Formula: C35H46O4 MolecularWeight: 530.73734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OOC(C)CCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OOC(C)CCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C35H46O4/c1-4-6-8-10-11-16-26-37-32-23-20-30(21-24-32)34-27-31(22-25-33(34)29-18-14-12-15-19-29)35(36)39-38-28(3)17-13-9-7-5-2/h12,14-15,18-25,27-28H,4-11,13,16-17,26H2,1-3H3