4-[(3-methylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(3-methylphenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[(3-methylbenzoyl)amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[(3-methylphenyl)-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[(3-methylbenzoyl)amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-(m-toluoylamino)naphthalene-2,7-disulfonic acid Formula: C18H15NO8S2 MolecularWeight: 437.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

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