1-azanyl-4-[[4-[[4-chloranyl-6-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-[[4-chloranyl-6-[(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-[[4-chloro-6-[(2,2,6,6-tetramethyl-1-oxido-4-piperidyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-[[4-chloro-6-[(2,2,6,6-tetramethyl-1-oxido-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-[[4-chloro-6-[(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-[[4-chloro-6-[(2,2,6,6-tetramethyl-1-oxido-4-piperidyl)amino]-s-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C32H32ClN8O9S2- MolecularWeight: 772.22768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1[O-])(C)C)NC2=NC(=NC(=N2)NC3=C(C=C(C=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)Cl)C

Isomeric SMILES

CC1(CC(CC(N1[O-])(C)C)NC2=NC(=NC(=N2)NC3=C(C=C(C=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)Cl)C

InChI

InChI=1S/C32H32ClN8O9S2/c1-31(2)13-16(14-32(3,4)41(31)44)36-29-38-28(33)39-30(40-29)37-19-10-9-15(11-21(19)51(45,46)47)35-20-12-22(52(48,49)50)25(34)24-23(20)26(42)17-7-5-6-8-18(17)27(24)43/h5-12,16,35H,13-14,34H2,1-4H3,(H,45,46,47)(H,48,49,50)(H2,36,37,38,39,40)/q-1