sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-3-sulfo-benzenesulfonate

Systemtic Name: sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-3-sulfo-benzenesulfonate Openeye Name: sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-3-sulfo-benzenesulfonate CAS Name: sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-9-xanthenyl]-3-sulfobenzenesulfonate IUPAC Name: sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]-3-sulfobenzenesulfonate Traditional Name: sodium 4-[3-(ethylamino)-6-ethylimino-2,7-dimethyl-xanthen-9-yl]-3-sulfo-besylate Formula: C25H25N2NaO7S2 MolecularWeight: 552.59497

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)O)C)C.[Na+]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=NCC)C(=CC3=C2C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)O)C)C.[Na+]

InChI

InChI=1S/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1