1-[3-bromanyl-6-(1-methoxyethoxymethoxy)-4-methyl-cyclohexa-2,4-dien-1-yl]adamantane

Systemtic Name: 1-[3-bromanyl-6-(1-methoxyethoxymethoxy)-4-methyl-cyclohexa-2,4-dien-1-yl]adamantane Openeye Name: 1-[3-bromo-6-(1-methoxyethoxymethoxy)-4-methyl-cyclohexa-2,4-dien-1-yl]adamantane CAS Name: 1-[3-bromo-6-(1-methoxyethoxymethoxy)-4-methyl-1-cyclohexa-2,4-dienyl]adamantane IUPAC Name: 1-[3-bromo-6-(1-methoxyethoxymethoxy)-4-methylcyclohexa-2,4-dien-1-yl]adamantane Traditional Name: 1-[3-bromo-6-(1-methoxyethoxymethoxy)-4-methyl-cyclohexa-2,4-dien-1-yl]adamantane Formula: C21H31BrO3 MolecularWeight: 411.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C=C1Br)C23CC4CC(C2)CC(C4)C3)OCOC(C)OC

Isomeric SMILES

CC1=CC(C(C=C1Br)C23CC4CC(C2)CC(C4)C3)OCOC(C)OC

InChI

InChI=1S/C21H31BrO3/c1-13-4-20(25-12-24-14(2)23-3)18(8-19(13)22)21-9-15-5-16(10-21)7-17(6-15)11-21/h4,8,14-18,20H,5-7,9-12H2,1-3H3