2-[2-[2-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-methyl-phenoxy]ethoxy]-3-[(2-ethoxy-2-oxidanylidene-ethyl)-(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-7-(3-ethoxy-3-oxidanylidene-propyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2-[2-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-methyl-phenoxy]ethoxy]-3-[(2-ethoxy-2-oxidanylidene-ethyl)-(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]-7-(3-ethoxy-3-oxidanylidene-propyl)-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-[2-[2-[2-[bis(2-ethoxy-2-oxo-ethyl)amino]-5-methyl-phenoxy]ethoxy]-3-[(2-ethoxy-1-methyl-2-oxo-ethyl)-(2-ethoxy-2-oxo-ethyl)amino]-7-(3-ethoxy-3-oxo-propyl)-6-oxo-xanthen-9-yl]benzoic acid CAS Name: 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]-5-methylphenoxy]ethoxy]-3-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]-7-(3-ethoxy-3-oxopropyl)-6-oxo-9-xanthenyl]benzoic acid IUPAC Name: 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]-5-methylphenoxy]ethoxy]-3-[(2-ethoxy-2-oxoethyl)-(1-ethoxy-1-oxopropan-2-yl)amino]-7-(3-ethoxy-3-oxopropyl)-6-oxoxanthen-9-yl]benzoic acid Traditional Name: 2-[2-[2-[2-[bis(2-ethoxy-2-keto-ethyl)amino]-5-methyl-phenoxy]ethoxy]-3-[(2-ethoxy-2-keto-ethyl)-(2-ethoxy-2-keto-1-methyl-ethyl)amino]-7-(3-ethoxy-3-keto-propyl)-6-keto-xanthen-9-yl]benzoic acid Formula: C51H58N2O16 MolecularWeight: 955.01002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)N(CC(=O)OCC)C(C)C(=O)OCC)OCCOC4=C(C=CC(=C4)C)N(CC(=O)OCC)CC(=O)OCC)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCOC(=O)CCC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)N(CC(=O)OCC)C(C)C(=O)OCC)OCCOC4=C(C=CC(=C4)C)N(CC(=O)OCC)CC(=O)OCC)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C51H58N2O16/c1-8-62-45(55)20-18-33-24-36-42(27-40(33)54)69-41-26-39(53(30-48(58)65-11-4)32(7)51(61)66-12-5)44(25-37(41)49(36)34-15-13-14-16-35(34)50(59)60)68-22-21-67-43-23-31(6)17-19-38(43)52(28-46(56)63-9-2)29-47(57)64-10-3/h13-17,19,23-27,32H,8-12,18,20-22,28-30H2,1-7H3,(H,59,60)