6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid CAS Name: 6-[[[3,5-bis(methoxycarbonyl)anilino]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[[3,5-bis(methoxycarbonyl)phenyl]carbamoylamino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[(3,5-dicarbomethoxyphenyl)carbamoylamino]naphthalene-1,3-disulfonic acid Formula: C21H18N2O11S2 MolecularWeight: 538.50442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C21H18N2O11S2/c1-33-19(24)12-5-13(20(25)34-2)8-15(7-12)23-21(26)22-14-3-4-17-11(6-14)9-16(35(27,28)29)10-18(17)36(30,31)32/h3-10H,1-2H3,(H2,22,23,26)(H,27,28,29)(H,30,31,32)