benzoic acid; (2-methylphenoxy)-[6-(oxiran-2-yl)hexan-3-yloxy]methanethione

Systemtic Name: benzoic acid; (2-methylphenoxy)-[6-(oxiran-2-yl)hexan-3-yloxy]methanethione Openeye Name: benzoic acid; [1-ethyl-4-(oxiran-2-yl)butoxy]-(2-methylphenoxy)methanethione CAS Name: benzoic acid; (2-methylphenoxy)-[6-(2-oxiranyl)hexan-3-yloxy]methanethione IUPAC Name: benzoic acid; (2-methylphenoxy)-[6-(oxiran-2-yl)hexan-3-yloxy]methanethione Traditional Name: benzoic acid; [1-ethyl-4-(oxiran-2-yl)butoxy]-(2-methylphenoxy)methanethione Formula: C23H28O5S MolecularWeight: 416.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1CO1)OC(=S)OC2=CC=CC=C2C.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(CCCC1CO1)OC(=S)OC2=CC=CC=C2C.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H22O3S.C7H6O2/c1-3-13(8-6-9-14-11-17-14)18-16(20)19-15-10-5-4-7-12(15)2;8-7(9)6-4-2-1-3-5-6/h4-5,7,10,13-14H,3,6,8-9,11H2,1-2H3;1-5H,(H,8,9)