1-azanyl-4-(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-(3-azanyl-2,4,6-trimethyl-5-sulfo-phenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfo-phenyl)sulfanyl-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)thio]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfophenyl)sulfanyl-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfo-phenyl)thio]-9,10-diketo-anthracene-2-sulfonic acid Formula: C23H20N2O8S3 MolecularWeight: 548.6085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1SC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C)N

Isomeric SMILES

CC1=C(C(=C(C(=C1SC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C)S(=O)(=O)O)C)N

InChI

InChI=1S/C23H20N2O8S3/c1-9-18(24)10(2)23(36(31,32)33)11(3)22(9)34-14-8-15(35(28,29)30)19(25)17-16(14)20(26)12-6-4-5-7-13(12)21(17)27/h4-8H,24-25H2,1-3H3,(H,28,29,30)(H,31,32,33)