1-azanyl-4-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[(3-azanyl-2-methyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-(3-amino-2-methyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-(3-amino-2-methyl-5-sulfoanilino)-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-4-(3-amino-2-methyl-5-sulfo-anilino)-9,10-diketo-anthracene-2,6-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(=C4)S(=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(=C4)S(=O)(=O)O)N)S(=O)(=O)O

InChI

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