3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypropanoic acid

Systemtic Name: 3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypropanoic acid Openeye Name: 3-(3-thioxocyclohexa-1,5-dien-1-yl)oxypropanoic acid CAS Name: 3-[(3-sulfanylidene-1-cyclohexa-1,5-dienyl)oxy]propanoic acid IUPAC Name: 3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)oxypropanoic acid Traditional Name: 3-(3-thioxocyclohexa-1,5-dien-1-yl)oxypropionic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=S)OCCC(=O)O

Isomeric SMILES

C1C=CC(=CC1=S)OCCC(=O)O

InChI

InChI=1S/C9H10O3S/c10-9(11)4-5-12-7-2-1-3-8(13)6-7/h1-2,6H,3-5H2,(H,10,11)