sodium 3-[[4-azanyl-3-[2-(2-methoxyethoxy)ethoxy]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate

Systemtic Name: sodium 3-[[4-azanyl-3-[2-(2-methoxyethoxy)ethoxy]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate Openeye Name: sodium 3-[[4-amino-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethyl-benzenesulfonate CAS Name: sodium 3-[[4-amino-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethylbenzenesulfonate IUPAC Name: sodium 3-[[4-amino-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxoanthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate Traditional Name: sodium 3-[[4-amino-9,10-diketo-3-[2-(2-methoxyethoxy)ethoxy]-1-anthryl]amino]-2,4,6-trimethyl-besylate Formula: C28H29N2NaO8S MolecularWeight: 576.59323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCCOCCOC)C)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OCCOCCOC)C)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C28H30N2O8S.Na/c1-15-13-16(2)28(39(33,34)35)17(3)25(15)30-20-14-21(38-12-11-37-10-9-36-4)24(29)23-22(20)26(31)18-7-5-6-8-19(18)27(23)32;/h5-8,13-14,30H,9-12,29H2,1-4H3,(H,33,34,35);/q;+1/p-1