6-(1-adamantyl)-1-(4-hexoxyphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 6-(1-adamantyl)-1-(4-hexoxyphenyl)naphthalene-2-carboxylic acid Openeye Name: 6-(1-adamantyl)-1-(4-hexoxyphenyl)naphthalene-2-carboxylic acid CAS Name: 6-(1-adamantyl)-1-(4-hexoxyphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 6-(1-adamantyl)-1-(4-hexoxyphenyl)naphthalene-2-carboxylic acid Traditional Name: 6-(1-adamantyl)-1-(4-hexoxyphenyl)-2-naphthoic acid Formula: C33H38O3 MolecularWeight: 482.65302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C=CC3=C2C=CC(=C3)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C=CC3=C2C=CC(=C3)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C33H38O3/c1-2-3-4-5-14-36-28-10-6-25(7-11-28)31-29-13-9-27(18-26(29)8-12-30(31)32(34)35)33-19-22-15-23(20-33)17-24(16-22)21-33/h6-13,18,22-24H,2-5,14-17,19-21H2,1H3,(H,34,35)