[6-chloranyl-2,3-bis(4-ethylphenoxy)-4-phenylmethoxy-naphthalen-1-yl] 3,3-dimethylpentanoate

Systemtic Name: [6-chloranyl-2,3-bis(4-ethylphenoxy)-4-phenylmethoxy-naphthalen-1-yl] 3,3-dimethylpentanoate Openeye Name: [4-benzyloxy-6-chloro-2,3-bis(4-ethylphenoxy)-1-naphthyl] 3,3-dimethylpentanoate CAS Name: 3,3-dimethylpentanoic acid [6-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxy-1-naphthalenyl] ester IUPAC Name: [6-chloro-2,3-bis(4-ethylphenoxy)-4-phenylmethoxynaphthalen-1-yl] 3,3-dimethylpentanoate Traditional Name: 3,3-dimethylvaleric acid [4-benzoxy-6-chloro-2,3-bis(4-ethylphenoxy)-1-naphthyl] ester Formula: C40H41ClO5 MolecularWeight: 637.20354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(C3=C(C=C(C=C3)Cl)C(=C2OC4=CC=C(C=C4)CC)OCC5=CC=CC=C5)OC(=O)CC(C)(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(C3=C(C=C(C=C3)Cl)C(=C2OC4=CC=C(C=C4)CC)OCC5=CC=CC=C5)OC(=O)CC(C)(C)CC

InChI

InChI=1S/C40H41ClO5/c1-6-27-14-19-31(20-15-27)44-38-36(43-26-29-12-10-9-11-13-29)34-24-30(41)18-23-33(34)37(46-35(42)25-40(4,5)8-3)39(38)45-32-21-16-28(7-2)17-22-32/h9-24H,6-8,25-26H2,1-5H3