5-[[3-(aminomethyl)-2-sulfo-phenyl]amino]-8-azanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid

Systemtic Name: 5-[[3-(aminomethyl)-2-sulfo-phenyl]amino]-8-azanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid Openeye Name: 8-amino-5-[3-(aminomethyl)-2-sulfo-anilino]-9,10-dioxo-anthracene-1,7-disulfonic acid CAS Name: 8-amino-5-[3-(aminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-1,7-disulfonic acid IUPAC Name: 8-amino-5-[3-(aminomethyl)-2-sulfoanilino]-9,10-dioxoanthracene-1,7-disulfonic acid Traditional Name: 8-amino-5-[3-(aminomethyl)-2-sulfo-anilino]-9,10-diketo-anthracene-1,7-disulfonic acid Formula: C21H17N3O11S3 MolecularWeight: 583.56818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)CN

Isomeric SMILES

C1=CC(=C(C(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)CN

InChI

InChI=1S/C21H17N3O11S3/c22-8-9-3-1-5-11(21(9)38(33,34)35)24-12-7-14(37(30,31)32)18(23)17-16(12)19(25)10-4-2-6-13(36(27,28)29)15(10)20(17)26/h1-7,24H,8,22-23H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)