[6-methoxy-1-(4-octoxyphenyl)-2-oxidanyl-6-oxidanylidene-hexyl] 3-chloranylbenzoate

Systemtic Name: [6-methoxy-1-(4-octoxyphenyl)-2-oxidanyl-6-oxidanylidene-hexyl] 3-chloranylbenzoate Openeye Name: [2-hydroxy-6-methoxy-1-(4-octoxyphenyl)-6-oxo-hexyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-hydroxy-6-methoxy-1-(4-octoxyphenyl)-6-oxohexyl] ester IUPAC Name: [2-hydroxy-6-methoxy-1-(4-octoxyphenyl)-6-oxohexyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-hydroxy-6-keto-6-methoxy-1-(4-octoxyphenyl)hexyl] ester Formula: C28H37ClO6 MolecularWeight: 505.04278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)OC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)OC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C28H37ClO6/c1-3-4-5-6-7-8-19-34-24-17-15-21(16-18-24)27(25(30)13-10-14-26(31)33-2)35-28(32)22-11-9-12-23(29)20-22/h9,11-12,15-18,20,25,27,30H,3-8,10,13-14,19H2,1-2H3