disodium 1-azanyl-4-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-4-[[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 1-amino-4-[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)anilino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 1-amino-4-[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)anilino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 1-amino-4-[4-methoxy-3-(2-sulfonatooxyethylsulfonyl)anilino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-[4-methoxy-3-(2-sulfatoethylsulfonyl)anilino]anthracene-2-sulfonate Formula: C23H18N2Na2O12S3 MolecularWeight: 656.56976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H20N2O12S3.2Na/c1-36-16-7-6-12(10-17(16)38(28,29)9-8-37-40(33,34)35)25-15-11-18(39(30,31)32)21(24)20-19(15)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);;/q;2*+1/p-2