[5-chloranyl-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-naphthalen-1-yl] octanoate

Systemtic Name: [5-chloranyl-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-naphthalen-1-yl] octanoate Openeye Name: [5-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-1-naphthyl] octanoate CAS Name: octanoic acid [5-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxy-1-naphthalenyl] ester IUPAC Name: [5-chloro-4-[(3,5-dimethylphenyl)methoxy]-2,3-dihexoxynaphthalen-1-yl] octanoate Traditional Name: caprylic acid [5-chloro-4-(3,5-dimethylbenzyl)oxy-2,3-dihexoxy-1-naphthyl] ester Formula: C39H55ClO5 MolecularWeight: 639.304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OCC3=CC(=CC(=C3)C)C)OCCCCCC)OCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=CC=C2Cl)OCC3=CC(=CC(=C3)C)C)OCCCCCC)OCCCCCC

InChI

InChI=1S/C39H55ClO5/c1-6-9-12-15-16-22-34(41)45-36-32-20-19-21-33(40)35(32)37(44-28-31-26-29(4)25-30(5)27-31)39(43-24-18-14-11-8-3)38(36)42-23-17-13-10-7-2/h19-21,25-27H,6-18,22-24,28H2,1-5H3