sodium 2-chloranyl-5-[[6-[(4-ethoxycarbonylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 2-chloranyl-5-[[6-[(4-ethoxycarbonylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]diazenyl]benzenesulfonate Openeye Name: sodium 2-chloro-5-[6-[(4-ethoxycarbonylphenyl)methoxy]indan-5-yl]azo-benzenesulfonate CAS Name: sodium 2-chloro-5-[[6-[(4-ethoxycarbonylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]azo]benzenesulfonate IUPAC Name: sodium 2-chloro-5-[[6-[(4-ethoxycarbonylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]diazenyl]benzenesulfonate Traditional Name: sodium 5-[6-(4-carbethoxybenzyl)oxyindan-5-yl]azo-2-chloro-besylate Formula: C25H22ClN2NaO6S MolecularWeight: 536.95975

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=C3CCCC3=C2)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=C3CCCC3=C2)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H23ClN2O6S.Na/c1-2-33-25(29)17-8-6-16(7-9-17)15-34-23-13-19-5-3-4-18(19)12-22(23)28-27-20-10-11-21(26)24(14-20)35(30,31)32;/h6-14H,2-5,15H2,1H3,(H,30,31,32);/q;+1/p-1