6-azanyl-2-(3-ethenylsulfonylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate

Systemtic Name: 6-azanyl-2-(3-ethenylsulfonylphenyl)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: 6-amino-1,3-dioxo-2-(3-vinylsulfonylphenyl)benzo[de]isoquinoline-5,8-disulfonate CAS Name: 6-amino-2-(3-ethenylsulfonylphenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: 6-amino-2-(3-ethenylsulfonylphenyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: 6-amino-1,3-diketo-2-(3-vinylsulfonylphenyl)benzo[de]isoquinoline-5,8-disulfonate Formula: C20H12N2O10S3-2 MolecularWeight: 536.51168

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)C1=CC=CC(=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

Isomeric SMILES

C=CS(=O)(=O)C1=CC=CC(=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

InChI

InChI=1S/C20H14N2O10S3/c1-2-33(25,26)11-5-3-4-10(6-11)22-19(23)14-8-12(34(27,28)29)7-13-17(14)15(20(22)24)9-16(18(13)21)35(30,31)32/h2-9H,1,21H2,(H,27,28,29)(H,30,31,32)/p-2