1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfoethenylsulfonyl)phenyl]amino]anthracene-2-sulfonic acid; sodium

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfoethenylsulfonyl)phenyl]amino]anthracene-2-sulfonic acid; sodium Openeye Name: 1-amino-9,10-dioxo-4-[3-(2-sulfovinylsulfonyl)anilino]anthracene-2-sulfonic acid; sodium CAS Name: 1-amino-9,10-dioxo-4-[3-(2-sulfoethenylsulfonyl)anilino]-2-anthracenesulfonic acid; sodium IUPAC Name: 1-amino-9,10-dioxo-4-[3-(2-sulfoethenylsulfonyl)anilino]anthracene-2-sulfonic acid; sodium Traditional Name: 1-amino-9,10-diketo-4-[3-(2-sulfovinylsulfonyl)anilino]anthracene-2-sulfonic acid; sodium Formula: C22H16N2NaO10S3 MolecularWeight: 587.55461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)C=CS(=O)(=O)O)S(=O)(=O)O)N.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)C=CS(=O)(=O)O)S(=O)(=O)O)N.[Na]

InChI

InChI=1S/C22H16N2O10S3.Na/c23-20-17(37(32,33)34)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)35(27,28)8-9-36(29,30)31;/h1-11,24H,23H2,(H,29,30,31)(H,32,33,34);