(2S)-2-[[(3R)-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[(3R)-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(3R)-5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl]amino]succinic acid Formula: C15H14ClNO8 MolecularWeight: 371.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC(=O)O)C(=O)O)Cl

Isomeric SMILES

C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C15H14ClNO8/c1-5-2-6-8(16)3-7(12(20)11(6)15(24)25-5)13(21)17-9(14(22)23)4-10(18)19/h3,5,9,20H,2,4H2,1H3,(H,17,21)(H,18,19)(H,22,23)/t5-,9+/m1/s1