7-[2-[(E)-4-(1-benzothiophen-3-yl)-3-oxidanyl-but-1-enyl]-3-oxidanyl-6-oxidanylidene-cyclohexyl]hept-5-ynoic acid

Systemtic Name: 7-[2-[(E)-4-(1-benzothiophen-3-yl)-3-oxidanyl-but-1-enyl]-3-oxidanyl-6-oxidanylidene-cyclohexyl]hept-5-ynoic acid Openeye Name: 7-[2-[(E)-4-(benzothiophen-3-yl)-3-hydroxy-but-1-enyl]-3-hydroxy-6-oxo-cyclohexyl]hept-5-ynoic acid CAS Name: 7-[2-[(E)-4-(1-benzothiophen-3-yl)-3-hydroxybut-1-enyl]-3-hydroxy-6-oxocyclohexyl]-5-heptynoic acid IUPAC Name: 7-[2-[(E)-4-(1-benzothiophen-3-yl)-3-hydroxybut-1-enyl]-3-hydroxy-6-oxocyclohexyl]hept-5-ynoic acid Traditional Name: 7-[2-[(E)-4-(benzothiophen-3-yl)-3-hydroxy-but-1-enyl]-3-hydroxy-6-keto-cyclohexyl]hept-5-ynoic acid Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(C1O)C=CC(CC2=CSC3=CC=CC=C32)O)CC#CCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C(C1O)/C=C/C(CC2=CSC3=CC=CC=C32)O)CC#CCCCC(=O)O

InChI

InChI=1S/C25H28O5S/c26-18(15-17-16-31-24-9-6-5-7-19(17)24)11-12-21-20(22(27)13-14-23(21)28)8-3-1-2-4-10-25(29)30/h5-7,9,11-12,16,18,20-21,23,26,28H,2,4,8,10,13-15H2,(H,29,30)/b12-11+