tetrakis[3-[[2,5,20,23-tetrakis(oxidanylidene)-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl]sulfanyl]propyl] (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylate

Systemtic Name: tetrakis[3-[[2,5,20,23-tetrakis(oxidanylidene)-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl]sulfanyl]propyl] (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylate Openeye Name: tetrakis[3-[(2,5,20,23-tetraoxo-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl)sulfanyl]propyl] (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylate CAS Name: (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid tetrakis[3-[(2,5,20,23-tetraoxo-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl)thio]propyl] ester IUPAC Name: tetrakis[3-[(2,5,20,23-tetraoxo-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl)sulfanyl]propyl] (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylate Traditional Name: (2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid tetrakis[3-[(2,5,20,23-tetraketo-1,6,19,24-tetraoxacyclohexatriacont-21-en-3-yl)thio]propyl] ester Formula: C156H256O46S4 MolecularWeight: 2995.93424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCC1)SCCCOC(=O)C2C(OCCOCCOC(C(OCCOCCO2)C(=O)OCCCSC3CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC3=O)C(=O)OCCCSC4CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC4=O)C(=O)OCCCSC5CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC5=O

Isomeric SMILES

C1CCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC(=O)C(CC(=O)OCCCCC1)SCCCOC(=O)[C@H]2[C@@H](OCCOCCO[C@H]([C@@H](OCCOCCO2)C(=O)OCCCSC3CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC3=O)C(=O)OCCCSC4CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC4=O)C(=O)OCCCSC5CC(=O)OCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCOC5=O

InChI

InChI=1S/C156H256O46S4/c157-133-85-89-137(161)183-97-69-53-37-21-9-13-29-45-61-77-105-195-149(169)129(125-141(165)187-101-73-57-41-25-5-1-17-33-49-65-93-179-133)203-121-81-109-199-153(173)145-146(154(174)200-110-82-122-204-130-126-142(166)188-102-74-58-42-26-6-2-18-34-50-66-94-180-134(158)86-90-138(162)184-98-70-54-38-22-10-14-30-46-62-78-106-196-150(130)170)192-118-114-178-116-120-194-148(156(176)202-112-84-124-206-132-128-144(168)190-104-76-60-44-28-8-4-20-36-52-68-96-182-136(160)88-92-140(164)186-100-72-56-40-24-12-16-32-48-64-80-108-198-152(132)172)147(193-119-115-177-113-117-191-145)155(175)201-111-83-123-205-131-127-143(167)189-103-75-59-43-27-7-3-19-35-51-67-95-181-135(159)87-91-139(163)185-99-71-55-39-23-11-15-31-47-63-79-107-197-151(131)171/h85-92,129-132,145-148H,1-84,93-128H2/t129?,130?,131?,132?,145-,146-,147-,148-/m1/s1