6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; benzene-1,4-diol

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; benzene-1,4-diol Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carboxylic acid; benzene-1,4-diol CAS Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarboxylic acid; benzene-1,4-diol IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid; benzene-1,4-diol Traditional Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthoic acid; hydroquinone Formula: C34H34O5 MolecularWeight: 522.63076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5.C1=CC(=CC=C1O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5.C1=CC(=CC=C1O)O

InChI

InChI=1S/C28H28O3.C6H6O2/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28;7-5-1-2-6(8)4-3-5/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30);1-4,7-8H