5-acetamido-4-oxidanylidene-3-[[1-oxidanyl-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: 5-acetamido-4-oxidanylidene-3-[[1-oxidanyl-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: 5-acetamido-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)-2-naphthyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid CAS Name: 5-acetamido-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)-2-naphthalenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid IUPAC Name: 5-acetamido-3-[[1-hydroxy-6-sulfo-8-(2-sulfooxyethylsulfonyl)naphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid Traditional Name: 5-acetamido-3-[[1-hydroxy-6-sulfo-8-(2-sulfoxyethylsulfonyl)-2-naphthyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid Formula: C24H21N3O18S5 MolecularWeight: 799.75784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=C(C4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=C(C4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)O)C2=O)S(=O)(=O)O

InChI

InChI=1S/C24H21N3O18S5/c1-11(28)25-17-9-14(47(33,34)35)7-13-8-19(49(39,40)41)22(24(30)20(13)17)27-26-16-3-2-12-6-15(48(36,37)38)10-18(21(12)23(16)29)46(31,32)5-4-45-50(42,43)44/h2-3,6-10,26,29H,4-5H2,1H3,(H,25,28)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)