ethyl 4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]carbonylsulfanyl-3-methyl-benzoate

Systemtic Name: ethyl 4-[3-(1-adamantyl)-4-phenylmethoxy-phenyl]carbonylsulfanyl-3-methyl-benzoate Openeye Name: ethyl 4-[3-(1-adamantyl)-4-benzyloxy-benzoyl]sulfanyl-3-methyl-benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-phenylmethoxyphenyl]-oxomethyl]thio]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-adamantyl)-4-phenylmethoxybenzoyl]sulfanyl-3-methylbenzoate Traditional Name: 4-[[3-(1-adamantyl)-4-benzoxy-benzoyl]thio]-3-methyl-benzoic acid ethyl ester Formula: C34H36O4S MolecularWeight: 540.71224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C34H36O4S/c1-3-37-32(35)27-10-12-31(22(2)13-27)39-33(36)28-9-11-30(38-21-23-7-5-4-6-8-23)29(17-28)34-18-24-14-25(19-34)16-26(15-24)20-34/h4-13,17,24-26H,3,14-16,18-21H2,1-2H3