4-[(4-aminophenyl)carbonylamino]-6-methyl-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[(4-aminophenyl)carbonylamino]-6-methyl-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[(4-aminobenzoyl)amino]-5-hydroxy-6-methyl-naphthalene-1,7-disulfonic acid CAS Name: 4-[[(4-aminophenyl)-oxomethyl]amino]-5-hydroxy-6-methylnaphthalene-1,7-disulfonic acid IUPAC Name: 4-[(4-aminobenzoyl)amino]-5-hydroxy-6-methylnaphthalene-1,7-disulfonic acid Traditional Name: 4-[(4-aminobenzoyl)amino]-5-hydroxy-6-methyl-naphthalene-1,7-disulfonic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)N)O

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)N)O

InChI

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