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

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[(3-chloro-4-methyl-benzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(3-chloro-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[(3-chloro-4-methyl-benzoyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C18H14ClNO8S2 MolecularWeight: 471.88866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO8S2/c1-9-2-3-10(6-14(9)19)18(22)20-15-7-12(29(23,24)25)4-11-5-13(30(26,27)28)8-16(21)17(11)15/h2-8,21H,1H3,(H,20,22)(H,23,24,25)(H,26,27,28)