7-[5-[(E)-4-(1-benzothiophen-2-yl)-3-oxidanyl-but-1-enyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[5-[(E)-4-(1-benzothiophen-2-yl)-3-oxidanyl-but-1-enyl]-3,3-dimethyl-4-oxidanyl-2-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[5-[(E)-4-(benzothiophen-2-yl)-3-hydroxy-but-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]heptanoic acid Traditional Name: 7-[5-[(E)-4-(benzothiophen-2-yl)-3-hydroxy-but-1-enyl]-4-hydroxy-2-keto-3,3-dimethyl-cyclopentyl]enanthic acid Formula: C26H34O5S MolecularWeight: 458.61016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C1=O)CCCCCCC(=O)O)C=CC(CC2=CC3=CC=CC=C3S2)O)O)C

Isomeric SMILES

CC1(C(C(C(C1=O)CCCCCCC(=O)O)/C=C/C(CC2=CC3=CC=CC=C3S2)O)O)C

InChI

InChI=1S/C26H34O5S/c1-26(2)24(30)20(10-5-3-4-6-12-23(28)29)21(25(26)31)14-13-18(27)16-19-15-17-9-7-8-11-22(17)32-19/h7-9,11,13-15,18,20-21,25,27,31H,3-6,10,12,16H2,1-2H3,(H,28,29)/b14-13+