sodium 1-azanyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(homoveratrylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C24H21N2NaO7S MolecularWeight: 504.48751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C24H22N2O7S.Na/c1-32-17-8-7-13(11-18(17)33-2)9-10-26-16-12-19(34(29,30)31)22(25)21-20(16)23(27)14-5-3-4-6-15(14)24(21)28;/h3-8,11-12,26H,9-10,25H2,1-2H3,(H,29,30,31);/q;+1/p-1