7,8,9,10-tetrahydrobenzo[a]pyren-7-yl adamantane-1-carboxylate

Systemtic Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl adamantane-1-carboxylate Openeye Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester IUPAC Name: 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl ester Formula: C31H30O2 MolecularWeight: 434.5687

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)OC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C31H30O2/c32-30(31-15-18-11-19(16-31)13-20(12-18)17-31)33-27-6-2-5-24-25-10-9-22-4-1-3-21-7-8-23(14-26(24)27)29(25)28(21)22/h1,3-4,7-10,14,18-20,27H,2,5-6,11-13,15-17H2