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2-ethylhexyl 2-[3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfanylethanoate

2-ethylhexyl 2-[3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfanylethanoate

Systemtic Name:2-ethylhexyl 2-[3-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]sulfanylethanoate
Openeye Name:2-ethylhexyl 2-[3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]sulfanylacetate
CAS Name:2-[[3-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]thio]acetic acid 2-ethylhexyl ester
IUPAC Name:2-ethylhexyl 2-[3-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]sulfanylacetate
Traditional Name:2-[[3-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]phenyl]thio]acetic acid 2-ethylhexyl ester
Formula: C30H31NO6S
MolecularWeight: 533.63524
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CSC1=CC=CC(=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N


Isomeric SMILES

CCCCC(CC)COC(=O)CSC1=CC=CC(=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N


InChI

InChI=1S/C30H31NO6S/c1-3-5-9-18(4-2)16-36-25(33)17-38-20-11-8-10-19(14-20)37-24-15-23(32)26-27(28(24)31)30(35)22-13-7-6-12-21(22)29(26)34/h6-8,10-15,18,32H,3-5,9,16-17,31H2,1-2H3


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