disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfonatooxyethylsulfonylmethyl)phenyl]amino]anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[3-(2-sulfonatooxyethylsulfonylmethyl)phenyl]amino]anthracene-2-sulfonate Openeye Name: disodium 1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonylmethyl)anilino]anthracene-2-sulfonate CAS Name: disodium 1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonylmethyl)anilino]-2-anthracenesulfonate IUPAC Name: disodium 1-amino-9,10-dioxo-4-[3-(2-sulfonatooxyethylsulfonylmethyl)anilino]anthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-[3-(2-sulfatoethylsulfonylmethyl)anilino]anthracene-2-sulfonate Formula: C23H18N2Na2O11S3 MolecularWeight: 640.57036

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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)CS(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O11S3.2Na/c24-21-18(38(30,31)32)11-17(19-20(21)23(27)16-7-2-1-6-15(16)22(19)26)25-14-5-3-4-13(10-14)12-37(28,29)9-8-36-39(33,34)35;;/h1-7,10-11,25H,8-9,12,24H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2