5-[2-(2-diazanyl-2-oxidanylidene-ethyl)sulfanylethanoylamino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[2-(2-diazanyl-2-oxidanylidene-ethyl)sulfanylethanoylamino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 5-[[2-(2-hydrazino-2-oxo-ethyl)sulfanylacetyl]amino]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-[[2-[(2-hydrazinyl-2-oxoethyl)thio]-1-oxoethyl]amino]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-[[2-(2-hydrazinyl-2-oxoethyl)sulfanylacetyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-[[2-[(2-hydrazino-2-keto-ethyl)thio]acetyl]amino]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid Formula: C24H19N3O7S MolecularWeight: 493.48856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC(=O)NN)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC(=O)NN)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C24H19N3O7S/c25-27-22(31)11-35-10-21(30)26-12-1-4-15(18(7-12)24(32)33)23-16-5-2-13(28)8-19(16)34-20-9-14(29)3-6-17(20)23/h1-9,28H,10-11,25H2,(H,26,30)(H,27,31)(H,32,33)