3-nitro-7-[(6-nitro-4,8-disulfo-naphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-nitro-7-[(6-nitro-4,8-disulfo-naphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid Openeye Name: 3-nitro-7-[(6-nitro-4,8-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,5-disulfonic acid CAS Name: 3-nitro-7-[[[(6-nitro-4,8-disulfo-2-naphthalenyl)amino]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-nitro-7-[(6-nitro-4,8-disulfonaphthalen-2-yl)carbamoylamino]naphthalene-1,5-disulfonic acid Traditional Name: 3-nitro-7-[(6-nitro-4,8-disulfo-2-naphthyl)carbamoylamino]naphthalene-1,5-disulfonic acid Formula: C21H14N4O17S4 MolecularWeight: 722.61246

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)NC(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=C(C=C2C(=CC(=CC2=C1S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)NC(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C21H14N4O17S4/c26-21(22-9-1-13-15(17(3-9)43(31,32)33)5-11(24(27)28)7-19(13)45(37,38)39)23-10-2-14-16(18(4-10)44(34,35)36)6-12(25(29)30)8-20(14)46(40,41)42/h1-8H,(H2,22,23,26)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)