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

Systemtic Name: 1-azanyl-4-[[3-[[4-chloranyl-6-[ethyl-[3-(2-sulfooxyethylsulfonyl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[[4-chloro-6-[N-ethyl-3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[[4-chloro-6-[N-ethyl-3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[[4-chloro-6-[N-ethyl-3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[[4-chloro-6-[N-ethyl-3-(2-sulfoxyethylsulfonyl)anilino]-s-triazin-2-yl]amino]-4-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C33H28ClN7O14S4 MolecularWeight: 910.32692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O)C2=NC(=NC(=N2)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CCN(C1=CC(=CC=C1)S(=O)(=O)CCOS(=O)(=O)O)C2=NC(=NC(=N2)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C33H28ClN7O14S4/c1-2-41(18-6-5-7-19(15-18)56(44,45)13-12-55-59(52,53)54)33-39-31(34)38-32(40-33)37-22-14-17(10-11-24(22)57(46,47)48)36-23-16-25(58(49,50)51)28(35)27-26(23)29(42)20-8-3-4-9-21(20)30(27)43/h3-11,14-16,36H,2,12-13,35H2,1H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,37,38,39,40)