phenylcarbonylsulfanyl 3-(1-adamantyl)-4-methoxy-benzoate

Systemtic Name: phenylcarbonylsulfanyl 3-(1-adamantyl)-4-methoxy-benzoate Openeye Name: benzoylsulfanyl 3-(1-adamantyl)-4-methoxy-benzoate CAS Name: 3-(1-adamantyl)-4-methoxybenzoic acid (benzoylthio) ester IUPAC Name: benzoylsulfanyl 3-(1-adamantyl)-4-methoxybenzoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzoic acid (benzoylthio) ester Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OSC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OSC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26O4S/c1-28-22-8-7-20(23(26)29-30-24(27)19-5-3-2-4-6-19)12-21(22)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3