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6-[4-acetyloxy-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid

6-[4-acetyloxy-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name:6-[4-acetyloxy-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid
Openeye Name:6-[4-acetoxy-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid
CAS Name:6-[4-acetyloxy-3-(1-adamantyl)phenyl]-2-naphthalenecarboxylic acid
IUPAC Name:6-[4-acetyloxy-3-(1-adamantyl)phenyl]naphthalene-2-carboxylic acid
Traditional Name:6-[4-acetoxy-3-(1-adamantyl)phenyl]-2-naphthoic acid
Formula: C29H28O4
MolecularWeight: 440.53022
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5


Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5


InChI

InChI=1S/C29H28O4/c1-17(30)33-27-7-6-24(22-2-3-23-12-25(28(31)32)5-4-21(23)11-22)13-26(27)29-14-18-8-19(15-29)10-20(9-18)16-29/h2-7,11-13,18-20H,8-10,14-16H2,1H3,(H,31,32)


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