trisodium (3Z)-5-acetamido-4-oxidanylidene-3-[(5-sulfonato-2-tetradecoxy-phenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-acetamido-4-oxidanylidene-3-[(5-sulfonato-2-tetradecoxy-phenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-acetamido-4-oxo-3-[(5-sulfonato-2-tetradecoxy-phenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-acetamido-4-oxo-3-[(5-sulfonato-2-tetradecoxyphenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-acetamido-4-oxo-3-[(5-sulfonato-2-tetradecoxyphenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-acetamido-4-keto-3-[(2-myristyloxy-5-sulfonato-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C32H40N3Na3O12S3 MolecularWeight: 823.83721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)[O-])NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)[O-])N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H43N3O12S3.3Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-47-28-16-15-24(48(38,39)40)20-26(28)34-35-31-29(50(44,45)46)19-23-18-25(49(41,42)43)21-27(33-22(2)36)30(23)32(31)37;;;/h15-16,18-21,34H,3-14,17H2,1-2H3,(H,33,36)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3/b35-31+;;;