(4-octan-2-yloxyphenyl) 2-oxidanylbenzoate

Systemtic Name: (4-octan-2-yloxyphenyl) 2-oxidanylbenzoate Openeye Name: [4-(1-methylheptoxy)phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid (4-octan-2-yloxyphenyl) ester IUPAC Name: (4-octan-2-yloxyphenyl) 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [4-(1-methylheptoxy)phenyl] ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C21H26O4/c1-3-4-5-6-9-16(2)24-17-12-14-18(15-13-17)25-21(23)19-10-7-8-11-20(19)22/h7-8,10-16,22H,3-6,9H2,1-2H3