copper; 5-acetamido-4-oxidanidyl-3-[[1-oxidanidyl-6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate; hydron

Systemtic Name: copper; 5-acetamido-4-oxidanidyl-3-[[1-oxidanidyl-6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate; hydron Openeye Name: copper; 5-acetamido-4-oxido-3-[[1-oxido-6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)-2-naphthyl]azo]naphthalene-2,7-disulfonate; hydron CAS Name: copper; 5-acetamido-4-oxido-3-[[1-oxido-6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)-2-naphthalenyl]azo]naphthalene-2,7-disulfonate; hydron IUPAC Name: copper; 5-acetamido-4-oxido-3-[[1-oxido-6-sulfonato-8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate; hydron Traditional Name: cupric; 5-acetamido-4-oxido-3-[[1-oxido-8-(2-sulfatoethylsulfonyl)-6-sulfonato-2-naphthyl]azo]naphthalene-2,7-disulfonate; hydron Formula: C24H18CuN3O18S5- MolecularWeight: 860.28002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

[H+].[H+].[H+].CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2[O-])N=NC3=C(C4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/C24H21N3O18S5.Cu/c1-11(28)25-17-9-14(47(33,34)35)7-13-8-19(49(39,40)41)22(24(30)20(13)17)27-26-16-3-2-12-6-15(48(36,37)38)10-18(21(12)23(16)29)46(31,32)5-4-45-50(42,43)44;/h2-3,6-10,29-30H,4-5H2,1H3,(H,25,28)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);/q;+2/p-3