3-azanyl-4-(thiophen-2-ylcarbonylamino)naphthalene-1,5-disulfonic acid

Systemtic Name: 3-azanyl-4-(thiophen-2-ylcarbonylamino)naphthalene-1,5-disulfonic acid Openeye Name: 3-amino-4-(thiophene-2-carbonylamino)naphthalene-1,5-disulfonic acid CAS Name: 3-amino-4-[[oxo(thiophen-2-yl)methyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-amino-4-(thiophene-2-carbonylamino)naphthalene-1,5-disulfonic acid Traditional Name: 3-amino-4-(2-thenoylamino)naphthalene-1,5-disulfonic acid Formula: C15H12N2O7S3 MolecularWeight: 428.45998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC=CS3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC=CS3)N)S(=O)(=O)O

InChI

InChI=1S/C15H12N2O7S3/c16-9-7-12(27(22,23)24)8-3-1-5-11(26(19,20)21)13(8)14(9)17-15(18)10-4-2-6-25-10/h1-7H,16H2,(H,17,18)(H,19,20,21)(H,22,23,24)