2-(7-azanyl-4-methyl-2-oxidanylidene-6-sulfo-chromen-3-yl)ethanoic acid

Systemtic Name: 2-(7-azanyl-4-methyl-2-oxidanylidene-6-sulfo-chromen-3-yl)ethanoic acid Openeye Name: 2-(7-amino-4-methyl-2-oxo-6-sulfo-chromen-3-yl)acetic acid CAS Name: 2-(7-amino-4-methyl-2-oxo-6-sulfo-1-benzopyran-3-yl)acetic acid IUPAC Name: 2-(7-amino-4-methyl-2-oxo-6-sulfochromen-3-yl)acetic acid Traditional Name: 2-(7-amino-2-keto-4-methyl-6-sulfo-chromen-3-yl)acetic acid Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)O

InChI

InChI=1S/C12H11NO7S/c1-5-6-2-10(21(17,18)19)8(13)4-9(6)20-12(16)7(5)3-11(14)15/h2,4H,3,13H2,1H3,(H,14,15)(H,17,18,19)