2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-tetralin-6-ylbutanoate CAS Name: 2,2-dimethylpropanoic acid; 2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (4-mercaptophenyl) ester IUPAC Name: 2,2-dimethylpropanoic acid; (4-sulfanylphenyl) 2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: 2,2-dimethylpropionic acid; 2-tetralin-6-ylbutyric acid (4-mercaptophenyl) ester Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(CCCC2)C=C1)C(=O)OC3=CC=C(C=C3)S.CC(C)(C)C(=O)O

Isomeric SMILES

CCC(C1=CC2=C(CCCC2)C=C1)C(=O)OC3=CC=C(C=C3)S.CC(C)(C)C(=O)O

InChI

InChI=1S/C20H22O2S.C5H10O2/c1-2-19(20(21)22-17-9-11-18(23)12-10-17)16-8-7-14-5-3-4-6-15(14)13-16;1-5(2,3)4(6)7/h7-13,19,23H,2-6H2,1H3;1-3H3,(H,6,7)