2-(4-chlorophenyl)sulfanylethanoic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol

Systemtic Name: 2-(4-chlorophenyl)sulfanylethanoic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol Openeye Name: 2-(4-chlorophenyl)sulfanylacetic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol CAS Name: 2-[(4-chlorophenyl)thio]acetic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid; 9,12-dioxa-7-azaspiro[5.6]dodecan-7-ylmethanol Formula: C18H26ClNO5S MolecularWeight: 403.92074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)N(COCCO2)CO.C1=CC(=CC=C1SCC(=O)O)Cl

Isomeric SMILES

C1CCC2(CC1)N(COCCO2)CO.C1=CC(=CC=C1SCC(=O)O)Cl

InChI

InChI=1S/C10H19NO3.C8H7ClO2S/c12-8-11-9-13-6-7-14-10(11)4-2-1-3-5-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h12H,1-9H2;1-4H,5H2,(H,10,11)