(2S)-2-[(5-carboxy-2-methoxy-phenyl)sulfonylamino]butanedioic acid

Systemtic Name: (2S)-2-[(5-carboxy-2-methoxy-phenyl)sulfonylamino]butanedioic acid Openeye Name: (2S)-2-[(5-carboxy-2-methoxy-phenyl)sulfonylamino]butanedioic acid CAS Name: (2S)-2-[(5-carboxy-2-methoxyphenyl)sulfonylamino]butanedioic acid IUPAC Name: (2S)-2-[(5-carboxy-2-methoxyphenyl)sulfonylamino]butanedioic acid Traditional Name: (2S)-2-[(5-carboxy-2-methoxy-phenyl)sulfonylamino]succinic acid Formula: C12H13NO9S MolecularWeight: 347.29792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO9S/c1-22-8-3-2-6(11(16)17)4-9(8)23(20,21)13-7(12(18)19)5-10(14)15/h2-4,7,13H,5H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t7-/m0/s1