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2-[3-azanylidene-6-(diethylamino)-1,2-diethyl-xanthen-9-yl]benzoic acid

2-[3-azanylidene-6-(diethylamino)-1,2-diethyl-xanthen-9-yl]benzoic acid

Systemtic Name:2-[3-azanylidene-6-(diethylamino)-1,2-diethyl-xanthen-9-yl]benzoic acid
Openeye Name:2-[6-(diethylamino)-1,2-diethyl-3-imino-xanthen-9-yl]benzoic acid
CAS Name:2-[6-(diethylamino)-1,2-diethyl-3-imino-9-xanthenyl]benzoic acid
IUPAC Name:2-[6-(diethylamino)-1,2-diethyl-3-iminoxanthen-9-yl]benzoic acid
Traditional Name:2-[6-(diethylamino)-1,2-diethyl-3-imino-xanthen-9-yl]benzoic acid
Formula: C28H30N2O3
MolecularWeight: 442.5494
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=CC1=N)C4=CC=CC=C4C(=O)O)CC


Isomeric SMILES

CCC1=C(C2=C(C3=C(C=C(C=C3)N(CC)CC)OC2=CC1=N)C4=CC=CC=C4C(=O)O)CC


InChI

InChI=1S/C28H30N2O3/c1-5-18-19(6-2)27-25(16-23(18)29)33-24-15-17(30(7-3)8-4)13-14-22(24)26(27)20-11-9-10-12-21(20)28(31)32/h9-16,29H,5-8H2,1-4H3,(H,31,32)


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