(6E)-3-azanyl-5-oxidanylidene-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (6E)-3-azanyl-5-oxidanylidene-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (6E)-3-amino-5-oxo-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfo-2-naphthyl)azo]-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (6E)-3-amino-5-oxo-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (6E)-3-amino-5-oxo-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (6E)-3-amino-5-keto-7-sulfinooxy-6-[[7-sulfo-4-[(5-sulfo-2-naphthyl)azo]-1-naphthyl]hydrazono]naphthalene-2-sulfonic acid Formula: C30H21N5O13S4 MolecularWeight: 787.77344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)N=NC3=C4C=CC(=CC4=C(C=C3)NN=C5C(=CC6=CC(=C(C=C6C5=O)N)S(=O)(=O)O)OS(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N/N=C/5\C(=CC6=CC(=C(C=C6C5=O)N)S(=O)(=O)O)OS(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C30H21N5O13S4/c31-23-14-21-16(12-28(23)52(45,46)47)11-26(48-49(37)38)29(30(21)36)35-34-25-9-8-24(20-7-5-18(13-22(20)25)50(39,40)41)33-32-17-4-6-19-15(10-17)2-1-3-27(19)51(42,43)44/h1-14,34H,31H2,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b33-32?,35-29+