3-(1-adamantyl)-1-[3,4-bis(oxidanyl)phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-1-[3,4-bis(oxidanyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-(3,4-dihydroxyphenyl)naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-(3,4-dihydroxyphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-(3,4-dihydroxyphenyl)naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-(3,4-dihydroxyphenyl)-2-naphthoic acid Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC(=C(C=C6)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC(=C(C=C6)O)O

InChI

InChI=1S/C27H26O4/c28-22-6-5-19(11-23(22)29)24-20-4-2-1-3-18(20)10-21(25(24)26(30)31)27-12-15-7-16(13-27)9-17(8-15)14-27/h1-6,10-11,15-17,28-29H,7-9,12-14H2,(H,30,31)