[3-(1-adamantyl)-4-[1,2-bis(oxidanyl)ethyl]phenyl] naphthalene-2-carboxylate

Systemtic Name: [3-(1-adamantyl)-4-[1,2-bis(oxidanyl)ethyl]phenyl] naphthalene-2-carboxylate Openeye Name: [3-(1-adamantyl)-4-(1,2-dihydroxyethyl)phenyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [3-(1-adamantyl)-4-(1,2-dihydroxyethyl)phenyl] ester IUPAC Name: [3-(1-adamantyl)-4-(1,2-dihydroxyethyl)phenyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [3-(1-adamantyl)-4-(1,2-dihydroxyethyl)phenyl] ester Formula: C29H30O4 MolecularWeight: 442.5461

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)C(CO)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)OC(=O)C5=CC6=CC=CC=C6C=C5)C(CO)O

InChI

InChI=1S/C29H30O4/c30-17-27(31)25-8-7-24(33-28(32)23-6-5-21-3-1-2-4-22(21)12-23)13-26(25)29-14-18-9-19(15-29)11-20(10-18)16-29/h1-8,12-13,18-20,27,30-31H,9-11,14-17H2