3-[3a,6-dimethyl-3-oxidanyl-7,8-bis(oxidanylidene)-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid

Systemtic Name: 3-[3a,6-dimethyl-3-oxidanyl-7,8-bis(oxidanylidene)-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid Openeye Name: 3-(3-hydroxy-3a,6-dimethyl-7,8-dioxo-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid CAS Name: 3-(3-hydroxy-3a,6-dimethyl-7,8-dioxo-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid IUPAC Name: 3-(3-hydroxy-3a,6-dimethyl-7,8-dioxo-2,3,4,5,5a,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid Traditional Name: 3-(3-hydroxy-7,8-diketo-3a,6-dimethyl-2,3,4,5,5a,9,9a,9b-octahydro-1H-benz[e]inden-6-yl)propionic acid Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CC(=O)C(=O)C3(C)CCC(=O)O

Isomeric SMILES

CC12CCC3C(C1CCC2O)CC(=O)C(=O)C3(C)CCC(=O)O

InChI

InChI=1S/C18H26O5/c1-17-7-5-12-10(11(17)3-4-14(17)20)9-13(19)16(23)18(12,2)8-6-15(21)22/h10-12,14,20H,3-9H2,1-2H3,(H,21,22)