5-acetamido-4-oxidanylidene-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium

Systemtic Name: 5-acetamido-4-oxidanylidene-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium Openeye Name: 5-acetamido-4-oxo-3-[[4-[(6-sulfo-2-naphthyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonic acid; sodium CAS Name: 5-acetamido-4-oxo-3-[[4-[oxo-[(6-sulfo-2-naphthalenyl)amino]methyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium IUPAC Name: 5-acetamido-4-oxo-3-[[4-[(6-sulfonaphthalen-2-yl)carbamoyl]phenyl]hydrazinylidene]naphthalene-2,7-disulfonic acid; sodium Traditional Name: 5-acetamido-4-keto-3-[[4-[(6-sulfo-2-naphthyl)carbamoyl]phenyl]hydrazono]naphthalene-2,7-disulfonic acid; sodium Formula: C29H22N4NaO12S3 MolecularWeight: 737.68935

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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=CC5=C(C=C4)C=C(C=C5)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=CC5=C(C=C4)C=C(C=C5)S(=O)(=O)O)C2=O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C29H22N4O12S3.Na/c1-15(34)30-24-14-23(47(40,41)42)12-19-13-25(48(43,44)45)27(28(35)26(19)24)33-32-20-6-2-16(3-7-20)29(36)31-21-8-4-18-11-22(46(37,38)39)9-5-17(18)10-21;/h2-14,32H,1H3,(H,30,34)(H,31,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);