2-[(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)sulfonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 2-[(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)sulfonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 2-[[3-amino-4-(2-naphthylsulfonyl)phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid CAS Name: 2-[[3-amino-4-(2-naphthalenylsulfonyl)phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid IUPAC Name: 2-[(3-amino-4-naphthalen-2-ylsulfonylphenyl)sulfonylamino]naphthalene-1,5-disulfonic acid Traditional Name: 2-[[3-amino-4-(2-naphthylsulfonyl)phenyl]sulfonylamino]naphthalene-1,5-disulfonic acid Formula: C26H20N2O10S4 MolecularWeight: 648.7044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)NC4=C(C5=C(C=C4)C(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C26H20N2O10S4/c27-22-15-19(10-13-25(22)39(29,30)18-9-8-16-4-1-2-5-17(16)14-18)40(31,32)28-23-12-11-20-21(26(23)42(36,37)38)6-3-7-24(20)41(33,34)35/h1-15,28H,27H2,(H,33,34,35)(H,36,37,38)