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

Systemtic Name: [3-chloranyl-4-[3-(3-ethyl-2-oxidanylidene-8-propyl-chromen-7-yl)oxypropylsulfanyl]phenyl] ethanoate Openeye Name: [3-chloro-4-[3-(3-ethyl-2-oxo-8-propyl-chromen-7-yl)oxypropylsulfanyl]phenyl] acetate CAS Name: acetic acid [3-chloro-4-[3-[(3-ethyl-2-oxo-8-propyl-1-benzopyran-7-yl)oxy]propylthio]phenyl] ester IUPAC Name: [3-chloro-4-[3-(3-ethyl-2-oxo-8-propylchromen-7-yl)oxypropylsulfanyl]phenyl] acetate Traditional Name: acetic acid [3-chloro-4-[3-(3-ethyl-2-keto-8-propyl-chromen-7-yl)oxypropylthio]phenyl] ester Formula: C25H27ClO5S MolecularWeight: 474.99688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=O)C(=C2)CC)OCCCSC3=C(C=C(C=C3)OC(=O)C)Cl

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=O)C(=C2)CC)OCCCSC3=C(C=C(C=C3)OC(=O)C)Cl

InChI

InChI=1S/C25H27ClO5S/c1-4-7-20-22(10-8-18-14-17(5-2)25(28)31-24(18)20)29-12-6-13-32-23-11-9-19(15-21(23)26)30-16(3)27/h8-11,14-15H,4-7,12-13H2,1-3H3