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2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid

2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid

Systemtic Name:2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
Openeye Name:2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
CAS Name:2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
IUPAC Name:2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
Traditional Name:2-[3,6-bis(ethylamino)-2,7-dimethyl-3H-xanthen-9-yl]benzoic acid
Formula: C26H28N2O3
MolecularWeight: 416.51212
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Descriptors Computed from Structure

Canonical SMILES:

CCNC1C=C2C(=C(C3=CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)O)C=C1C


Isomeric SMILES

CCNC1C=C2C(=C(C3=CC(=C(C=C3O2)NCC)C)C4=CC=CC=C4C(=O)O)C=C1C


InChI

InChI=1S/C26H28N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,21,27-28H,5-6H2,1-4H3,(H,29,30)


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