7-[[7-[(4-chloranyl-3-sulfo-phenyl)sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[[7-[(4-chloranyl-3-sulfo-phenyl)sulfamoyl]-5-oxidanyl-naphthalen-2-yl]carbamoylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-[[7-[(4-chloro-3-sulfo-phenyl)sulfamoyl]-5-hydroxy-2-naphthyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 7-[[[[7-[(4-chloro-3-sulfophenyl)sulfamoyl]-5-hydroxy-2-naphthalenyl]amino]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 7-[[7-[(4-chloro-3-sulfophenyl)sulfamoyl]-5-hydroxynaphthalen-2-yl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 7-[[7-[(4-chloro-3-sulfo-phenyl)sulfamoyl]-5-hydroxy-2-naphthyl]carbamoylamino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C27H20ClN3O11S3 MolecularWeight: 694.1092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)NC5=CC(=C(C=C5)Cl)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)O)S(=O)(=O)NC5=CC(=C(C=C5)Cl)S(=O)(=O)O)O

InChI

InChI=1S/C27H20ClN3O11S3/c28-23-6-3-18(11-26(23)45(40,41)42)31-43(35,36)19-9-14-7-16(1-4-21(14)24(32)12-19)29-27(34)30-17-2-5-22-15(8-17)10-20(13-25(22)33)44(37,38)39/h1-13,31-33H,(H2,29,30,34)(H,37,38,39)(H,40,41,42)