2-(2-nitrososulfanyl-2-adamantyl)ethyl 4-methoxybenzoate

Systemtic Name: 2-(2-nitrososulfanyl-2-adamantyl)ethyl 4-methoxybenzoate Openeye Name: 2-(2-nitrososulfanyl-2-adamantyl)ethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-[2-(nitrosothio)-2-adamantyl]ethyl ester IUPAC Name: 2-(2-nitrososulfanyl-2-adamantyl)ethyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-[2-(nitrosothio)-2-adamantyl]ethyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCCC2(C3CC4CC(C3)CC2C4)SN=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCCC2(C3CC4CC(C3)CC2C4)SN=O

InChI

InChI=1S/C20H25NO4S/c1-24-18-4-2-15(3-5-18)19(22)25-7-6-20(26-21-23)16-9-13-8-14(11-16)12-17(20)10-13/h2-5,13-14,16-17H,6-12H2,1H3