[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H25ClO3S2 MolecularWeight: 425.0044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H25ClO3S2/c1-24-17-7-15(18-26-4-5-27-18)2-3-16(17)25-19(23)20-8-13-6-14(9-20)11-21(22,10-13)12-20/h2-3,7,13-14,18H,4-6,8-12H2,1H3