5-azanyl-8-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid

Systemtic Name: 5-azanyl-8-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid Openeye Name: 5-amino-8-(3-amino-2-methyl-5-sulfo-anilino)-9,10-dioxo-anthracene-1,6-disulfonic acid CAS Name: 5-amino-8-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid IUPAC Name: 5-amino-8-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid Traditional Name: 5-amino-8-(3-amino-2-methyl-5-sulfo-anilino)-9,10-diketo-anthracene-1,6-disulfonic acid Formula: C21H17N3O11S3 MolecularWeight: 583.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O11S3/c1-8-11(22)5-9(36(27,28)29)6-12(8)24-13-7-15(38(33,34)35)19(23)18-17(13)21(26)16-10(20(18)25)3-2-4-14(16)37(30,31)32/h2-7,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)