(2-decoxyphenyl) 4-(3,7-dimethyloctoxy)benzoate

Systemtic Name: (2-decoxyphenyl) 4-(3,7-dimethyloctoxy)benzoate Openeye Name: (2-decoxyphenyl) 4-(3,7-dimethyloctoxy)benzoate CAS Name: 4-(3,7-dimethyloctoxy)benzoic acid (2-decoxyphenyl) ester IUPAC Name: (2-decoxyphenyl) 4-(3,7-dimethyloctoxy)benzoate Traditional Name: 4-(3,7-dimethyloctoxy)benzoic acid (2-decoxyphenyl) ester Formula: C33H50O4 MolecularWeight: 510.7477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C33H50O4/c1-5-6-7-8-9-10-11-14-25-36-31-18-12-13-19-32(31)37-33(34)29-20-22-30(23-21-29)35-26-24-28(4)17-15-16-27(2)3/h12-13,18-23,27-28H,5-11,14-17,24-26H2,1-4H3