sodium 1-azanyl-4-(6-azanylhexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-(6-azanylhexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(6-aminohexylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(6-aminohexylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(6-aminohexylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(6-aminohexylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C20H22N3NaO5S MolecularWeight: 439.46055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCCCCN)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NCCCCCCN)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C20H23N3O5S.Na/c21-9-5-1-2-6-10-23-14-11-15(29(26,27)28)18(22)17-16(14)19(24)12-7-3-4-8-13(12)20(17)25;/h3-4,7-8,11,23H,1-2,5-6,9-10,21-22H2,(H,26,27,28);/q;+1/p-1