disodium (3Z)-7-(ethoxycarbonylamino)-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-7-(ethoxycarbonylamino)-4-oxidanylidene-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-(ethoxycarbonylamino)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-(ethoxycarbonylamino)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-(ethoxycarbonylamino)-4-oxo-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-(carbethoxyamino)-4-keto-3-[[4-(2-sulfatoethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C21H19N3Na2O12S3 MolecularWeight: 647.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=O)/C(=N/NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H21N3O12S3.2Na/c1-2-35-21(26)22-15-5-8-17-13(11-15)12-18(38(29,30)31)19(20(17)25)24-23-14-3-6-16(7-4-14)37(27,28)10-9-36-39(32,33)34;;/h3-8,11-12,23H,2,9-10H2,1H3,(H,22,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b24-19+;;