1-azanyl-4-[[3-[2-[2-[2-[2-[2-[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-[2-[2-[2-[2-[2-[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[2-[2-[2-[2-[2-[3-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[2-[2-[2-[2-[2-[3-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[2-[2-[2-[2-[2-[3-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[2-[2-[2-[2-[2-[3-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]phenyl]sulfonylethylamino]ethoxy]ethoxy]ethylamino]ethylsulfonyl]anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C50H48N6O16S4 MolecularWeight: 1117.20672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCNCCOCCOCCNCCS(=O)(=O)C5=CC=CC(=C5)NC6=CC(=C(C7=C6C(=O)C8=CC=CC=C8C7=O)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCNCCOCCOCCNCCS(=O)(=O)C5=CC=CC(=C5)NC6=CC(=C(C7=C6C(=O)C8=CC=CC=C8C7=O)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C50H48N6O16S4/c51-45-39(75(65,66)67)27-37(41-43(45)49(59)35-13-3-1-11-33(35)47(41)57)55-29-7-5-9-31(25-29)73(61,62)23-17-53-15-19-71-21-22-72-20-16-54-18-24-74(63,64)32-10-6-8-30(26-32)56-38-28-40(76(68,69)70)46(52)44-42(38)48(58)34-12-2-4-14-36(34)50(44)60/h1-14,25-28,53-56H,15-24,51-52H2,(H,65,66,67)(H,68,69,70)