3-(2-bromanylprop-2-enoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 3-(2-bromanylprop-2-enoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-(2-bromoprop-2-enoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-[(2-bromo-1-oxoprop-2-enyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-(2-bromoprop-2-enoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-[(2-bromoacryloyl)amino]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C13H10BrNO8S2 MolecularWeight: 452.2544

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O)Br

Isomeric SMILES

C=C(C(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O)Br

InChI

InChI=1S/C13H10BrNO8S2/c1-6(14)13(17)15-10-5-9-7(3-12(10)25(21,22)23)2-8(4-11(9)16)24(18,19)20/h2-5,16H,1H2,(H,15,17)(H,18,19,20)(H,21,22,23)