2-[3-chloranyl-4-[3-(4-ethyl-2-oxidanylidene-8-propyl-chromen-7-yl)oxypropylsulfanyl]phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(4-ethyl-2-oxidanylidene-8-propyl-chromen-7-yl)oxypropylsulfanyl]phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-[3-(4-ethyl-2-oxo-8-propyl-chromen-7-yl)oxypropylsulfanyl]phenyl]propanoic acid CAS Name: 2-[3-chloro-4-[3-[(4-ethyl-2-oxo-8-propyl-1-benzopyran-7-yl)oxy]propylthio]phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-[3-(4-ethyl-2-oxo-8-propylchromen-7-yl)oxypropylsulfanyl]phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-[3-(4-ethyl-2-keto-8-propyl-chromen-7-yl)oxypropylthio]phenyl]propionic acid Formula: C26H29ClO5S MolecularWeight: 489.02346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=O)C=C2CC)OCCCSC3=C(C=C(C=C3)C(C)C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=O)C=C2CC)OCCCSC3=C(C=C(C=C3)C(C)C(=O)O)Cl

InChI

InChI=1S/C26H29ClO5S/c1-4-7-20-22(10-9-19-17(5-2)15-24(28)32-25(19)20)31-12-6-13-33-23-11-8-18(14-21(23)27)16(3)26(29)30/h8-11,14-16H,4-7,12-13H2,1-3H3,(H,29,30)