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

Systemtic Name: (3R,5S)-4-(3-carboxyphenyl)adamantane-1-carboxylic acid Openeye Name: (3R,5S)-4-(3-carboxyphenyl)adamantane-1-carboxylic acid CAS Name: (3R,5S)-4-(3-carboxyphenyl)-1-adamantanecarboxylic acid IUPAC Name: (3R,5S)-4-(3-carboxyphenyl)adamantane-1-carboxylic acid Traditional Name: (3R,5S)-4-(3-carboxyphenyl)adamantane-1-carboxylic acid Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3C4=CC=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2C4=CC=CC(=C4)C(=O)O)CC1C3)C(=O)O

InChI

InChI=1S/C18H20O4/c19-16(20)12-3-1-2-11(6-12)15-13-4-10-5-14(15)9-18(7-10,8-13)17(21)22/h1-3,6,10,13-15H,4-5,7-9H2,(H,19,20)(H,21,22)/t10?,13-,14+,15?,18?