(5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylic acid

Systemtic Name: (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylic acid Openeye Name: (5S,7R)-3-(p-tolyl)adamantane-1-carboxylic acid CAS Name: (5S,7R)-3-(4-methylphenyl)-1-adamantanecarboxylic acid IUPAC Name: (5S,7R)-3-(4-methylphenyl)adamantane-1-carboxylic acid Traditional Name: (5S,7R)-3-(p-tolyl)adamantane-1-carboxylic acid Formula: C18H22O2 MolecularWeight: 270.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)O

InChI

InChI=1S/C18H22O2/c1-12-2-4-15(5-3-12)17-7-13-6-14(8-17)10-18(9-13,11-17)16(19)20/h2-5,13-14H,6-11H2,1H3,(H,19,20)/t13-,14+,17?,18?