4-oxidanylidene-5-(phenylcarbamoylamino)-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-oxidanylidene-5-(phenylcarbamoylamino)-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid Openeye Name: 4-oxo-5-(phenylcarbamoylamino)-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid CAS Name: 5-[[anilino(oxo)methyl]amino]-4-oxo-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid IUPAC Name: 4-oxo-5-(phenylcarbamoylamino)-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid Traditional Name: 4-keto-5-(phenylcarbamoylamino)-4a,5-dihydro-1H-naphthalene-2,7-disulfonic acid Formula: C17H16N2O8S2 MolecularWeight: 440.44754

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(C2C(=O)C=C1S(=O)(=O)O)NC(=O)NC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1C2=CC(=CC(C2C(=O)C=C1S(=O)(=O)O)NC(=O)NC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H16N2O8S2/c20-15-9-13(29(25,26)27)7-10-6-12(28(22,23)24)8-14(16(10)15)19-17(21)18-11-4-2-1-3-5-11/h1-6,8-9,14,16H,7H2,(H2,18,19,21)(H,22,23,24)(H,25,26,27)