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6-(1-adamantylcarbonyl)anthracene-2-carboxylic acid

6-(1-adamantylcarbonyl)anthracene-2-carboxylic acid

Systemtic Name:6-(1-adamantylcarbonyl)anthracene-2-carboxylic acid
Openeye Name:6-(adamantane-1-carbonyl)anthracene-2-carboxylic acid
CAS Name:6-[1-adamantyl(oxo)methyl]-2-anthracenecarboxylic acid
IUPAC Name:6-(adamantane-1-carbonyl)anthracene-2-carboxylic acid
Traditional Name:6-(adamantane-1-carbonyl)anthracene-2-carboxylic acid
Formula: C26H24O3
MolecularWeight: 384.46696
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4=CC5=C(C=C4)C=C6C=C(C=CC6=C5)C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C4=CC5=C(C=C4)C=C6C=C(C=CC6=C5)C(=O)O


InChI

InChI=1S/C26H24O3/c27-24(26-12-15-5-16(13-26)7-17(6-15)14-26)20-3-1-18-9-23-11-21(25(28)29)4-2-19(23)8-22(18)10-20/h1-4,8-11,15-17H,5-7,12-14H2,(H,28,29)


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