7-[2-[(E)-5-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-pent-1-enyl]-6-oxidanylidene-cyclohexyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-5-(3-chloranyl-1-benzothiophen-2-yl)-3-oxidanyl-pent-1-enyl]-6-oxidanylidene-cyclohexyl]heptanoic acid Openeye Name: 7-[2-[(E)-5-(3-chlorobenzothiophen-2-yl)-3-hydroxy-pent-1-enyl]-6-oxo-cyclohexyl]heptanoic acid CAS Name: 7-[2-[(E)-5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-6-oxocyclohexyl]heptanoic acid IUPAC Name: 7-[2-[(E)-5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypent-1-enyl]-6-oxocyclohexyl]heptanoic acid Traditional Name: 7-[2-[(E)-5-(3-chlorobenzothiophen-2-yl)-3-hydroxy-pent-1-enyl]-6-keto-cyclohexyl]enanthic acid Formula: C26H33ClO4S MolecularWeight: 477.05582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=O)C1)CCCCCCC(=O)O)C=CC(CCC2=C(C3=CC=CC=C3S2)Cl)O

Isomeric SMILES

C1CC(C(C(=O)C1)CCCCCCC(=O)O)/C=C/C(CCC2=C(C3=CC=CC=C3S2)Cl)O

InChI

InChI=1S/C26H33ClO4S/c27-26-21-10-5-6-12-23(21)32-24(26)17-16-19(28)15-14-18-8-7-11-22(29)20(18)9-3-1-2-4-13-25(30)31/h5-6,10,12,14-15,18-20,28H,1-4,7-9,11,13,16-17H2,(H,30,31)/b15-14+