(2Z)-7-(oxan-2-yloxy)-1-phenylsulfanyl-4-propan-2-yl-cyclodec-2-ene-1-carboxylic acid

Systemtic Name: (2Z)-7-(oxan-2-yloxy)-1-phenylsulfanyl-4-propan-2-yl-cyclodec-2-ene-1-carboxylic acid Openeye Name: (2Z)-4-isopropyl-1-phenylsulfanyl-7-tetrahydropyran-2-yloxy-cyclodec-2-ene-1-carboxylic acid CAS Name: (2Z)-7-(2-oxanyloxy)-1-(phenylthio)-4-propan-2-yl-1-cyclodec-2-enecarboxylic acid IUPAC Name: (2Z)-7-(oxan-2-yloxy)-1-phenylsulfanyl-4-propan-2-ylcyclodec-2-ene-1-carboxylic acid Traditional Name: (2Z)-4-isopropyl-1-(phenylthio)-7-tetrahydropyran-2-yloxy-cyclodec-2-ene-1-carboxylic acid Formula: C25H36O4S MolecularWeight: 432.61594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CCCC(C=C1)(C(=O)O)SC2=CC=CC=C2)OC3CCCCO3

Isomeric SMILES

CC(C)C/1CCC(CCCC(/C=C1)(C(=O)O)SC2=CC=CC=C2)OC3CCCCO3

InChI

InChI=1S/C25H36O4S/c1-19(2)20-13-14-21(29-23-12-6-7-18-28-23)9-8-16-25(17-15-20,24(26)27)30-22-10-4-3-5-11-22/h3-5,10-11,15,17,19-21,23H,6-9,12-14,16,18H2,1-2H3,(H,26,27)/b17-15-