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

Systemtic Name: 4-[6-(4-acetyloxybutoxy)-7-(1-adamantyl)naphthalen-2-yl]benzoic acid Openeye Name: 4-[6-(4-acetoxybutoxy)-7-(1-adamantyl)-2-naphthyl]benzoic acid CAS Name: 4-[6-(4-acetyloxybutoxy)-7-(1-adamantyl)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[6-(4-acetyloxybutoxy)-7-(1-adamantyl)naphthalen-2-yl]benzoic acid Traditional Name: 4-[6-(4-acetoxybutoxy)-7-(1-adamantyl)-2-naphthyl]benzoic acid Formula: C33H36O5 MolecularWeight: 512.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(=O)OCCCCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H36O5/c1-21(34)37-10-2-3-11-38-31-17-28-9-8-27(25-4-6-26(7-5-25)32(35)36)15-29(28)16-30(31)33-18-22-12-23(19-33)14-24(13-22)20-33/h4-9,15-17,22-24H,2-3,10-14,18-20H2,1H3,(H,35,36)