phenethyl 3-oxidanyl-4-[4-(6-oxidanylhexoxy)phenyl]benzoate

Systemtic Name: phenethyl 3-oxidanyl-4-[4-(6-oxidanylhexoxy)phenyl]benzoate Openeye Name: phenethyl 3-hydroxy-4-[4-(6-hydroxyhexoxy)phenyl]benzoate CAS Name: 3-hydroxy-4-[4-(6-hydroxyhexoxy)phenyl]benzoic acid phenethyl ester IUPAC Name: phenethyl 3-hydroxy-4-[4-(6-hydroxyhexoxy)phenyl]benzoate Traditional Name: 3-hydroxy-4-[4-(6-hydroxyhexoxy)phenyl]benzoic acid phenethyl ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCCCCCCO)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)OCCCCCCO)O

InChI

InChI=1S/C27H30O5/c28-17-6-1-2-7-18-31-24-13-10-22(11-14-24)25-15-12-23(20-26(25)29)27(30)32-19-16-21-8-4-3-5-9-21/h3-5,8-15,20,28-29H,1-2,6-7,16-19H2