4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]-2-chloranyl-benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]-2-chloranyl-benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]-2-chloro-benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthalenyl]-2-chlorobenzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]-2-chlorobenzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]-2-chloro-benzoic acid Formula: C31H33ClO5 MolecularWeight: 521.04372

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)Cl)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)Cl)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H33ClO5/c1-18(35-2)36-17-37-29-13-24-4-3-22(23-5-6-26(30(33)34)28(32)12-23)10-25(24)11-27(29)31-14-19-7-20(15-31)9-21(8-19)16-31/h3-6,10-13,18-21H,7-9,14-17H2,1-2H3,(H,33,34)