methyl 2-ethyl-4-(4-oxidanylsulfonothioylphenyl)pentanoate

Systemtic Name: methyl 2-ethyl-4-(4-oxidanylsulfonothioylphenyl)pentanoate Openeye Name: methyl 2-ethyl-4-(4-hydroxysulfonothioylphenyl)pentanoate CAS Name: 2-ethyl-4-(4-hydroxysulfonothioylphenyl)pentanoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(4-hydroxysulfonothioylphenyl)pentanoate Traditional Name: 2-ethyl-4-(4-hydroxysulfonothioylphenyl)valeric acid methyl ester Formula: C14H20O4S2 MolecularWeight: 316.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=S)O)C(=O)OC

Isomeric SMILES

CCC(CC(C)C1=CC=C(C=C1)S(=O)(=S)O)C(=O)OC

InChI

InChI=1S/C14H20O4S2/c1-4-11(14(15)18-3)9-10(2)12-5-7-13(8-6-12)20(16,17)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17,19)