3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxy-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 3-(1-adamantyl)-4-(2-hydroxyphenyl)-4-methoxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C24H28O4 MolecularWeight: 380.47672

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(C=C1C23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5O

Isomeric SMILES

COC1(C=CC(C=C1C23CC4CC(C2)CC(C4)C3)C(=O)O)C5=CC=CC=C5O

InChI

InChI=1S/C24H28O4/c1-28-24(19-4-2-3-5-20(19)25)7-6-18(22(26)27)11-21(24)23-12-15-8-16(13-23)10-17(9-15)14-23/h2-7,11,15-18,25H,8-10,12-14H2,1H3,(H,26,27)