3-[(4aR)-8,8-bis(3-oxidanidyl-3-oxidanylidene-propyl)-8a-oxidanyl-2-oxidanylidene-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoate

Systemtic Name: 3-[(4aR)-8,8-bis(3-oxidanidyl-3-oxidanylidene-propyl)-8a-oxidanyl-2-oxidanylidene-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoate Openeye Name: 3-[(4aR)-8a-hydroxy-8,8-bis(3-oxido-3-oxo-propyl)-2-oxo-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoate CAS Name: 3-[(4aR)-8a-hydroxy-8,8-bis(3-oxido-3-oxopropyl)-2-oxo-4,5,6,7-tetrahydro-3H-1-benzopyran-4a-yl]propanoate IUPAC Name: 3-[(4aR)-8a-hydroxy-8,8-bis(3-oxido-3-oxopropyl)-2-oxo-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propanoate Traditional Name: 3-[(4aR)-8a-hydroxy-2-keto-8,8-bis(3-keto-3-oxido-propyl)-4,5,6,7-tetrahydro-3H-chromen-4a-yl]propionate Formula: C18H23O9-3 MolecularWeight: 383.36982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC(=O)OC2(C(C1)(CCC(=O)[O-])CCC(=O)[O-])O)CCC(=O)[O-]

Isomeric SMILES

C1C[C@]2(CCC(=O)OC2(C(C1)(CCC(=O)[O-])CCC(=O)[O-])O)CCC(=O)[O-]

InChI

InChI=1S/C18H26O9/c19-12(20)2-8-16(9-3-13(21)22)6-1-7-17(10-4-14(23)24)11-5-15(25)27-18(16,17)26/h26H,1-11H2,(H,19,20)(H,21,22)(H,23,24)/p-3/t17-,18?/m1/s1