J0V

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Summary

Name:1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
Formula:C19 H18 O6 S
Formal charge:0
Molecular weight:374.408 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid
OpenEye OEToolkits2.0.61,6,6-trimethyl-10,11-bis(oxidanylidene)-8,9-dihydro-7~{H}-naphtho[1,2-g][1]benzofuran-2-sulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c4c1c(c(C)c(o1)S(=O)(=O)O)C(=O)C(=O)c4c2c(C(C)(CCC2)C)c3
InChIInChI1.03InChI=1S/C19H18O6S/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24/h6-7H,4-5,8H2,1-3H3,(H,22,23,24)
InChIKeyInChI1.03UJCACMLMPLLRGW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(oc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12)[S](O)(=O)=O
SMILESCACTVS3.385Cc1c(oc2c3ccc4c(CCCC4(C)C)c3C(=O)C(=O)c12)[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C
SMILESOpenEye OEToolkits2.0.6Cc1c2c(oc1S(=O)(=O)O)-c3ccc4c(c3C(=O)C2=O)CCCC4(C)C
167518
PDB entries from 2020-08-12