4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-5-methoxy-2-methyl-benzenesulfonic acid

Systemtic Name: 4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxidanylidene-butanoyl]amino]-5-methoxy-2-methyl-benzenesulfonic acid Openeye Name: 4-[[2-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-oxo-butanoyl]amino]-5-methoxy-2-methyl-benzenesulfonic acid CAS Name: 4-[[2-[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]azo-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid IUPAC Name: 4-[[2-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-5-methoxy-2-methylbenzenesulfonic acid Traditional Name: 4-[[2-[2,5-dimethoxy-4-(2-sulfoxyethylsulfonyl)phenyl]azo-3-keto-butanoyl]amino]-5-methoxy-2-methyl-besylic acid Formula: C22H27N3O14S3 MolecularWeight: 653.65648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC

InChI

InChI=1S/C22H27N3O14S3/c1-12-8-14(16(36-3)10-19(12)41(30,31)32)23-22(27)21(13(2)26)25-24-15-9-18(38-5)20(11-17(15)37-4)40(28,29)7-6-39-42(33,34)35/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35)