1-azanyl-4-(2-azanylethylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-(2-azanylethylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2-aminoethylamino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2-aminoethylamino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2-aminoethylamino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(2-aminoethylamino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCN)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCN)S(=O)(=O)O)N

InChI

InChI=1S/C16H15N3O5S/c17-5-6-19-10-7-11(25(22,23)24)14(18)13-12(10)15(20)8-3-1-2-4-9(8)16(13)21/h1-4,7,19H,5-6,17-18H2,(H,22,23,24)