1-azanyl-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[2-methoxy-5-(2-sulfoxyethylsulfonyl)anilino]anthracene-2-sulfonic acid Formula: C23H20N2O12S3 MolecularWeight: 612.6061

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C23H20N2O12S3/c1-36-17-7-6-12(38(28,29)9-8-37-40(33,34)35)10-15(17)25-16-11-18(39(30,31)32)21(24)20-19(16)22(26)13-4-2-3-5-14(13)23(20)27/h2-7,10-11,25H,8-9,24H2,1H3,(H,30,31,32)(H,33,34,35)