7-(diethylamino)-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid

Systemtic Name: 7-(diethylamino)-2-oxidanylidene-4-(sulfomethyl)chromene-3-sulfonic acid Openeye Name: 7-(diethylamino)-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid CAS Name: 7-(diethylamino)-2-oxo-4-(sulfomethyl)-1-benzopyran-3-sulfonic acid IUPAC Name: 7-(diethylamino)-2-oxo-4-(sulfomethyl)chromene-3-sulfonic acid Traditional Name: 7-(diethylamino)-2-keto-4-(sulfomethyl)chromene-3-sulfonic acid Formula: C14H17NO8S2 MolecularWeight: 391.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)S(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)S(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C14H17NO8S2/c1-3-15(4-2)9-5-6-10-11(8-24(17,18)19)13(25(20,21)22)14(16)23-12(10)7-9/h5-7H,3-4,8H2,1-2H3,(H,17,18,19)(H,20,21,22)