5-acetamido-4-oxidanylidene-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium

Systemtic Name: 5-acetamido-4-oxidanylidene-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium Openeye Name: 5-acetamido-4-oxo-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonic acid; sodium CAS Name: 5-acetamido-4-oxo-3-[[4-[oxo-(4-sulfoanilino)methyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium IUPAC Name: 5-acetamido-4-oxo-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium Traditional Name: 5-acetamido-4-keto-3-[[4-[(4-sulfophenyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonic acid; sodium Formula: C25H20N4NaO12S3 MolecularWeight: 687.63067

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)O)C2=O)S(=O)(=O)O.[Na]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)O)C2=O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C25H20N4O12S3.Na/c1-13(30)26-20-12-19(43(36,37)38)10-15-11-21(44(39,40)41)23(24(31)22(15)20)29-28-17-4-2-14(3-5-17)25(32)27-16-6-8-18(9-7-16)42(33,34)35;/h2-12,28H,1H3,(H,26,30)(H,27,32)(H,33,34,35)(H,36,37,38)(H,39,40,41);