disodium 1-azanyl-4-[[3-(2-bromanylprop-2-enoylamino)-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[[3-(2-bromanylprop-2-enoylamino)-2,4,6-trimethyl-5-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[3-(2-bromoprop-2-enoylamino)-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[3-[(2-bromo-1-oxoprop-2-enyl)amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[3-(2-bromoprop-2-enoylamino)-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-4-[3-[(2-bromoacryloyl)amino]-2,4,6-trimethyl-5-sulfonato-anilino]-9,10-diketo-anthracene-2-sulfonate Formula: C26H20BrN3Na2O9S2 MolecularWeight: 708.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1NC(=O)C(=C)Br)C)S(=O)(=O)[O-])C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1NC(=O)C(=C)Br)C)S(=O)(=O)[O-])C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C26H22BrN3O9S2.2Na/c1-10-21(11(2)25(41(37,38)39)12(3)22(10)30-26(33)13(4)27)29-16-9-17(40(34,35)36)20(28)19-18(16)23(31)14-7-5-6-8-15(14)24(19)32;;/h5-9,29H,4,28H2,1-3H3,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2