4-(5-carboxy-2-methyl-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(5-carboxy-2-methyl-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(5-carboxy-2-methyl-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(5-carboxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(5-carboxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(5-carboxy-2-methyl-phenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C17H15NO7S MolecularWeight: 377.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H15NO7S/c1-10-6-7-11(16(19)20)8-15(10)26(23,24)18-9-14(17(21)22)25-13-5-3-2-4-12(13)18/h2-8,14H,9H2,1H3,(H,19,20)(H,21,22)