disodium 4-azanyl-3-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-azanyl-3-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate Openeye Name: disodium 4-amino-3-[[4-(1-naphthylazo)-1-naphthyl]azo]naphthalene-2,7-disulfonate CAS Name: disodium 4-amino-3-[[4-(1-naphthalenylazo)-1-naphthalenyl]azo]naphthalene-2,7-disulfonate IUPAC Name: disodium 4-amino-3-[[4-(naphthalen-1-yldiazenyl)naphthalen-1-yl]diazenyl]naphthalene-2,7-disulfonate Traditional Name: disodium 4-amino-3-[[4-(1-naphthylazo)-1-naphthyl]azo]naphthalene-2,7-disulfonate Formula: C30H19N5Na2O6S2 MolecularWeight: 655.6113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=C6C=C(C=CC6=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=C6C=C(C=CC6=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H21N5O6S2.2Na/c31-29-22-13-12-20(42(36,37)38)16-19(22)17-28(43(39,40)41)30(29)35-34-27-15-14-26(23-9-3-4-10-24(23)27)33-32-25-11-5-7-18-6-1-2-8-21(18)25;;/h1-17H,31H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2