disodium 4-[(4-methyl-3-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-disulfonate

Systemtic Name: disodium 4-[(4-methyl-3-oxidanyl-naphthalen-2-yl)carbonylamino]benzene-1,3-disulfonate Openeye Name: disodium 4-[(3-hydroxy-4-methyl-naphthalene-2-carbonyl)amino]benzene-1,3-disulfonate CAS Name: disodium 4-[[(3-hydroxy-4-methyl-2-naphthalenyl)-oxomethyl]amino]benzene-1,3-disulfonate IUPAC Name: disodium 4-[(3-hydroxy-4-methylnaphthalene-2-carbonyl)amino]benzene-1,3-disulfonate Traditional Name: disodium 4-[(3-hydroxy-4-methyl-2-naphthoyl)amino]benzene-1,3-disulfonate Formula: C18H13NNa2O8S2 MolecularWeight: 481.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC2=CC=CC=C12)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C18H15NO8S2.2Na/c1-10-13-5-3-2-4-11(13)8-14(17(10)20)18(21)19-15-7-6-12(28(22,23)24)9-16(15)29(25,26)27;;/h2-9,20H,1H3,(H,19,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2