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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC(=O)C

Isomeric SMILES

CCCC(OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC(=O)C

InChI

InChI=1S/C33H36O5/c1-3-4-31(37-20(2)34)38-30-16-27-10-9-26(24-5-7-25(8-6-24)32(35)36)14-28(27)15-29(30)33-17-21-11-22(18-33)13-23(12-21)19-33/h5-10,14-16,21-23,31H,3-4,11-13,17-19H2,1-2H3,(H,35,36)