4-[(5-azanyl-2-methyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(5-azanyl-2-methyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(5-amino-2-methyl-benzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[(5-amino-2-methylphenyl)-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(5-amino-2-methylbenzoyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[(5-amino-2-methyl-benzoyl)amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C18H16N2O8S2/c1-9-2-3-10(19)6-12(9)18(22)20-14-4-5-16(30(26,27)28)13-7-11(29(23,24)25)8-15(21)17(13)14/h2-8,21H,19H2,1H3,(H,20,22)(H,23,24,25)(H,26,27,28)