2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid Openeye Name: 2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid CAS Name: 2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid IUPAC Name: 2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid Traditional Name: 2-[[(1S,2R,3aS,9aR)-1-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-2-hydroxy-2,3,3a,4,9,9a-hexahydro-1H-benz[f]inden-5-yl]oxy]acetic acid Formula: C24H30O5 MolecularWeight: 398.492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC2C(CC3C2CC4=C(C3)C(=CC=C4)OCC(=O)O)O)O

Isomeric SMILES

C1CCC(CC1)[C@@H](C#C[C@H]2[C@@H](C[C@H]3[C@H]2CC4=C(C3)C(=CC=C4)OCC(=O)O)O)O

InChI

InChI=1S/C24H30O5/c25-21(15-5-2-1-3-6-15)10-9-18-19-11-16-7-4-8-23(29-14-24(27)28)20(16)12-17(19)13-22(18)26/h4,7-8,15,17-19,21-22,25-26H,1-3,5-6,11-14H2,(H,27,28)/t17-,18+,19+,21+,22+/m0/s1