4-[(3aR,5S,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid

Systemtic Name: 4-[(3aR,5S,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid Openeye Name: 4-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid CAS Name: 4-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid IUPAC Name: 4-[(3aR,5S,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid Traditional Name: 4-[(3aR,5S,7aS)-1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h3-6,9,12-13H,2,7-8H2,1H3,(H,20,21)/t9-,12-,13+/m0/s1