4-[2-(3-azanylphenoxy)ethanoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[2-(3-azanylphenoxy)ethanoylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[[2-(3-aminophenoxy)acetyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[2-(3-aminophenoxy)-1-oxoethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[[2-(3-aminophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[[2-(3-aminophenoxy)acetyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C18H16N2O9S2 MolecularWeight: 468.45764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O)N

InChI

InChI=1S/C18H16N2O9S2/c19-10-2-1-3-11(6-10)29-9-17(22)20-14-4-5-16(31(26,27)28)13-7-12(30(23,24)25)8-15(21)18(13)14/h1-8,21H,9,19H2,(H,20,22)(H,23,24,25)(H,26,27,28)